SCHEMBL8318571

SCHEMBL8318571

COc1ccc(C(=O)Nc2ccc(C(=O)N3CCc4nncn4-c4ccccc43)cc2)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
AVPR2 P30518 1/20 0.43
AVPR1A P37288 1/20 0.43

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
SCHEMBL8318313 0.91 AVPR2 (0.45) MAPTAVPR2AVPR1A
SCHEMBL8317702 0.91 AVPR2 (0.52) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL8317310 0.85 AVPR1A (0.52) MAPTRAB9AKMT2AALDH1A1AVPR2
SCHEMBL8317969 0.84 MAPT (0.49) MAPTTP53RAB9ANPC1MEN1
SCHEMBL8311577 0.84 AVPR1A (0.51) AVPR2AVPR1A
SCHEMBL7333364 0.82 AVPR1A (0.61) AVPR2AVPR1A
SCHEMBL8316356 0.82 AVPR1A (0.49) AVPR2AVPR1A
SCHEMBL8316512 0.81 MEN1 (0.48) RAB9ANPC1MEN1KMT2AAVPR2
SCHEMBL8316236 0.81 AVPR2 (0.42) AVPR2AVPR1A
SCHEMBL8316599 0.81 AVPR2 (0.53) MEN1KMT2AAVPR2AVPR1A

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