SCHEMBL11359454

SCHEMBL11359454

CNC(=NCCNCc1ccon1)NC#N

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ P2RX3 P56373 1/20 0.31
▸ QPCT Q16769 1/20 0.30
▸ HTR1A P08908 1/20 0.30
▸ HTR1D P28221 1/20 0.30

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
SCHEMBL11359450 1.00 BCHE (0.32) BCHEACHEP2RX3QPCTHTR1A
SCHEMBL11364313 0.93 HTR1A (0.37) QPCTHTR1AHTR1D
SCHEMBL11364316 0.93 HTR1A (0.37) QPCTHTR1AHTR1D
SCHEMBL11363760 0.88 HRH4 (0.42) BCHEACHE
SCHEMBL11363757 0.88 HRH4 (0.42) BCHEACHE
SCHEMBL11357394 0.87 BCHE (0.36) BCHEACHE
SCHEMBL11357391 0.87 BCHE (0.36) BCHEACHE
SCHEMBL11354972 0.84 BCHE (0.41) BCHEACHE
SCHEMBL11354976 0.84 BCHE (0.41) BCHEACHE
SCHEMBL11357398 0.82 BCHE (0.36) BCHEACHE

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 9 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-4228291-A INHIBITORS OF HISTAMINE ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-10-14 — — 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-4024271-A INHIBITORS OF HISTAMINE ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-17 — — 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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