SCHEMBL11364224

SCHEMBL11364224

CN=C(NC#N)NCCSCCc1cccnn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 5/20 0.50
▸ CYP3A4 P08684 4/20 0.50
▸ CYP2D6 P10635 4/20 0.50
▸ LMNA P02545 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ SLC22A2 O15244 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ ATP4A P20648 1/20 0.50
▸ APEX1 P27695 1/20 0.50
▸ PDE4A P27815 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ ADRA1A P35348 1/20 0.50
▸ ATP4B P51164 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ SLC47A2 Q86VL8 1/20 0.50
▸ SLC22A8 Q8TCC7 1/20 0.50
▸ SLC47A1 Q96FL8 1/20 0.50

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
SCHEMBL11364666 0.90 HRH2 (0.56) HRH2CYP3A4CYP2D6LMNATSHR
SCHEMBL11360045 0.83 HRH2 (0.49) HRH2CYP3A4CYP2D6LMNATSHR
SCHEMBL11363966 0.80 HRH4 (0.41) HRH2CYP3A4CYP2D6LMNATSHR
SCHEMBL11361115 0.80 HRH2 (0.55) HRH2CYP3A4CYP2D6LMNATSHR
SCHEMBL11364221 0.80 BCHE (0.36) HRH2CYP3A4CYP2D6MEN1CYP1A2
SCHEMBL11364218 0.80 BCHE (0.36) HRH2CYP3A4CYP2D6MEN1CYP1A2
SCHEMBL11357517 0.79 HRH2 (0.52) HRH2CYP3A4CYP2D6LMNATSHR
SCHEMBL11353882 0.79 CYP3A4 (0.52) HRH2CYP3A4CYP2D6LMNATSHR
SCHEMBL11359959 0.79 BCHE (0.44) HRH2CYP3A4CYP2D6LMNATSHR
SCHEMBL11355542 0.78 HRH2 (0.49) HRH2CYP3A4CYP2D6LMNATSHR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4293699-A CONTAINING A BENZIMIDAZOLE OR 3-/5,6,7,8-TETRAHYDROIMIDAZO(1,5A)PYRIDINE, ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-10-06 — — US disclosed
US-4287198-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-09-01 — — US disclosed
US-4221802-A Pharmacologically active guanidine compounds for inhibiting H-2 histamine receptors SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-09-09 — — US disclosed
US-4154844-A ANTIHISTAMINE, GASTRIC JUICE ANTISECRETORY AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-15 — — US disclosed
US-4137237-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-30 — — US disclosed
US-4070475-A THIOALKYL-, AMINOALKYL-, AND OXYALKYL- SUBSTITUTED GUANIDINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1978-01-24 — — US disclosed
US-4022797-A PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-10 — — US disclosed
US-3950333-A HISTAMINE INHIBITORS, OXYALKYL, THIOALKYL, AMINOALKYL DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 — — US disclosed
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