SCHEMBL8317702

SCHEMBL8317702

COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCc3nncn3-c3ccccc32)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 2/20 0.52
AVPR1A P37288 2/20 0.52
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.47
AHR P35869 1/20 0.47
GFER P55789 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
OXTR P30559 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL8317310 0.91 AVPR1A (0.52) AVPR2AVPR1AMAPTALDH1A1RAB9A
SCHEMBL8318571 0.91 MAPT (0.47) AVPR2AVPR1AMAPTALDH1A1RAB9A
SCHEMBL8318313 0.90 AVPR2 (0.45) AVPR2AVPR1AMAPT
SCHEMBL8316236 0.89 AVPR2 (0.42) AVPR2AVPR1AOXTR
SCHEMBL7333364 0.88 AVPR1A (0.61) AVPR2AVPR1AOXTR
SCHEMBL8315532 0.86 AVPR1A (0.55) AVPR2AVPR1AOXTR
SCHEMBL8311577 0.85 AVPR1A (0.51) AVPR2AVPR1AOXTR
SCHEMBL8318225 0.85 AVPR1A (0.53) AVPR2AVPR1AOXTR
SCHEMBL8316223 0.85 GAA (0.46) MAPTALDH1A1GFERSMN1; SMN2
SCHEMBL8317072 0.85 AVPR1A (0.50) AVPR2AVPR1AOXTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636625-B1 Tricyclic diazepines vasopressin and oxytocin antagonists AMERICAN CYANAMID CO (US) 1999-01-27 EP disclosed