SCHEMBL11368315

SCHEMBL11368315

CN/C(=N/CCNCc1nc(C)cs1)NC#N

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HRH2 P25021 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ HSP90AA1 P07900 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ PDE10A Q9Y233 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
SCHEMBL11368398 1.00 HSD17B10 (0.32) HSD17B10HRH4CYP3A4CYP2D6MAPT
SCHEMBL9330227 0.82 HSD17B10 (0.36) HSD17B10HRH4CYP3A4CYP2D6MAPT
SCHEMBL9328930 0.82 HSD17B10 (0.36) HSD17B10HRH4CYP3A4CYP2D6MAPT
SCHEMBL11353212 0.82 ADRB2 (0.33) —
SCHEMBL11353211 0.82 ADRB2 (0.33) —
SCHEMBL11366182 0.81 BCHE (0.40) HSD17B10HRH4CYP3A4CYP2D6MAPT
SCHEMBL11366186 0.81 BCHE (0.40) HSD17B10HRH4CYP3A4CYP2D6MAPT
SCHEMBL11368363 0.80 CYP3A4 (0.43) HSD17B10HRH4CYP3A4CYP2D6MAPT
SCHEMBL11363629 0.80 OPRM1 (0.30) —
SCHEMBL11363618 0.80 OPRM1 (0.30) —

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-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-4070475-A THIOALKYL-, AMINOALKYL-, AND OXYALKYL- SUBSTITUTED GUANIDINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1978-01-24 — — US disclosed
US-4024271-A INHIBITORS OF HISTAMINE ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-17 — — 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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