SCHEMBL8317310

SCHEMBL8317310

COc1cccc(OC)c1C(=O)Nc1ccc(C(=O)N2CCc3nncn3-c3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 2/20 0.52
GAA P10253 2/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 1/20 0.45
GFER P55789 1/20 0.45
KMT2A Q03164 1/20 0.43
AVPR2 P30518 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL8317702 0.91 AVPR2 (0.52) AVPR1ARAB9AMAPTGFERAVPR2
SCHEMBL8314230 0.88 AVPR1A (0.48) AVPR1AAVPR2
SCHEMBL8317401 0.86 AVPR1A (0.50) AVPR1AKMT2AAVPR2
SCHEMBL8318571 0.85 MAPT (0.47) AVPR1ARAB9AMAPTKMT2AAVPR2
SCHEMBL8316223 0.85 GAA (0.46) GAAMAPTGFERKMT2AALDH1A1
SCHEMBL8318313 0.85 AVPR2 (0.45) AVPR1AMAPTAVPR2
SCHEMBL8318310 0.82 AVPR1A (0.54) AVPR1AGAARAB9AMAPTGFER
SCHEMBL7333364 0.82 AVPR1A (0.61) AVPR1AAVPR2
SCHEMBL8318225 0.82 AVPR1A (0.53) AVPR1AAVPR2
SCHEMBL8316236 0.81 AVPR2 (0.42) AVPR1AAVPR2

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