SCHEMBL10974393

SCHEMBL10974393

c1ccc2nc(N3CCNCC3)nc-2cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.60
▸ POLB P06746 2/20 0.60
▸ ATM Q13315 1/20 0.59
▸ ALDH1A1 P00352 4/20 0.57
▸ HPGD P15428 1/20 0.57
▸ HTR3E A5X5Y0 2/20 0.55
▸ HTR3B O95264 2/20 0.55
▸ ADRB1 P08588 2/20 0.55
▸ HTR3A P46098 2/20 0.55
▸ HTR3D Q70Z44 2/20 0.55
▸ HTR3C Q8WXA8 2/20 0.55
▸ SIGMAR1 Q99720 1/20 0.55
▸ HRH1 P35367 1/20 0.55
▸ USP2 O75604 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ CETP P11597 2/20 0.53
▸ KDM4E B2RXH2 3/20 0.52
▸ CASP1 P29466 1/20 0.52
▸ CASP4 P49662 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL11161534 0.98 KMT2A (0.58) KMT2APOLBATMALDH1A1HPGD
SCHEMBL11215614 0.81 HTR3E (0.58) KMT2AHTR3EHTR3BADRB1HTR3A
SCHEMBL11395185 0.81 HRH1 (0.52) KMT2APOLBATMALDH1A1HPGD
Hydrochloric Acid SCHEMBL11217986 0.79 HTR3A (0.56) KMT2AALDH1A1HTR3EHTR3BADRB1
SCHEMBL9069333 0.79 HTR7 (0.59) KMT2APOLBATMALDH1A1HPGD
SCHEMBL2225874 0.78 KMT2A (0.57) KMT2APOLBATMALDH1A1HPGD
SCHEMBL4816380 0.78 KMT2A (0.64) KMT2APOLBATMALDH1A1HPGD
SCHEMBL1229731 0.78 HRH1 (0.85) KMT2APOLBALDH1A1HPGDHTR3E
SCHEMBL11393334 0.78 MAPT (0.62) KMT2APOLBALDH1A1HPGDHTR3E
SCHEMBL11392536 0.77 CTSS (0.54) ALDH1A1HTR3EHTR3BADRB1HTR3A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0033660-A1 2-(1-Piperazinyl)-cycloheptimidazole derivatives, processes for their preparation, pharmaceutical compositions containing them, and the preparation of such compositions AMERICAN HOME PRODUCTS CORPORATION (US) 1981-08-12 — — EP claimed
US-4258188-A HYPOTENSIVE AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1981-03-24 — — US claimed
JP-60260516-A — — None — — JP disclosed
JP-56125384-A — — None — — JP disclosed
JP-S60260516-A PSYCHOTROPIC AGENT MITSUI PETROCHEM IND LTD 1985-12-23 — — JP disclosed
US-4375470-A 2(1-Piperazinyl)-cycloheptimidazole antihypertensive composition and methods AMERICAN HOME PRODUCTS CORPORATION (US) 1983-03-01 — — US disclosed
US-4375470-A 2(1-Piperazinyl)-cycloheptimidazole antihypertensive composition and methods AMERICAN HOME PRODUCTS CORPORATION (US) 1983-03-01 — — US disclosed
US-4375470-A 2(1-Piperazinyl)-cycloheptimidazole antihypertensive composition and methods AMERICAN HOME PRODUCTS CORPORATION (US) 1983-03-01 — — US disclosed
US-4351832-A 2-(Piperazinyl)-4-pyrimidinamines AMERICAN HOME PRODUCTS CORPORATION (US) 1982-09-28 — — US disclosed
US-4333937-A 2-(Piperazinyl)-4-pyrimioinamines AMERICAN HOME PRODUCTS CORP. (US) 1982-06-08 — — US disclosed
EP-0039190-A1 2-(1-Piperazinyl)-4-pyrimidinamines and related compounds AMERICAN HOME PRODUCTS CORPORATION (US) 1981-11-04 — — EP disclosed
WO-1981003022-A1 2-(1-PIPERAZINYL)-4-PYRIMIDINAMINES AMERICAN HOME PROD (US) 1981-10-29 — — WO disclosed
EP-0056027-A1 2-(1-PIPERAZINYL)-4-PYRIMIDINAMINES AMERICAN HOME PRODUCTS CORPORATION (US) 1981-10-29 — — EP disclosed
JP-S56125384-A 2-(1-PIPERAZINYL)CYCLOHEPTIMIDAZOLE DERIVATIVE AMERICAN HOME PROD 1981-10-01 — — JP disclosed
EP-0033660-A1 2-(1-Piperazinyl)-cycloheptimidazole derivatives, processes for their preparation, pharmaceutical compositions containing them, and the preparation of such compositions AMERICAN HOME PRODUCTS CORPORATION (US) 1981-08-12 — — EP disclosed
EP-0033660-A1 2-(1-Piperazinyl)-cycloheptimidazole derivatives, processes for their preparation, pharmaceutical compositions containing them, and the preparation of such compositions AMERICAN HOME PRODUCTS CORPORATION (US) 1981-08-12 — — EP disclosed
EP-0033660-A1 2-(1-Piperazinyl)-cycloheptimidazole derivatives, processes for their preparation, pharmaceutical compositions containing them, and the preparation of such compositions AMERICAN HOME PRODUCTS CORPORATION (US) 1981-08-12 — — EP disclosed
US-4258188-A HYPOTENSIVE AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1981-03-24 — — US disclosed
US-4258188-A HYPOTENSIVE AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1981-03-24 — — US disclosed
US-4258188-A HYPOTENSIVE AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1981-03-24 — — US disclosed
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