SCHEMBL8318310

SCHEMBL8318310

COc1cccc(OC)c1C(=O)Nc1ccc(C(=O)N2CCc3cccn3-c3ccccc32)cc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 2/20 0.54
GAA P10253 2/20 0.48
MAPT P10636 1/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 1/20 0.47
RAB9A P51151 1/20 0.46
AVPR2 P30518 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL8317555 0.90 AVPR2 (0.54) AVPR1AMAPTGFERRAB9AAVPR2
SCHEMBL7412836 0.90 AVPR1A (0.51) AVPR1AGAARAB9AAVPR2
SCHEMBL8315401 0.87 AVPR1A (0.51) AVPR1AAVPR2
SCHEMBL8314325 0.85 AVPR1A (0.52) AVPR1AKMT2AAVPR2
SCHEMBL8317969 0.84 MAPT (0.49) AVPR1AMAPTKMT2ARAB9AAVPR2
SCHEMBL8317310 0.82 AVPR1A (0.52) AVPR1AGAAMAPTGFERKMT2A
SCHEMBL8315722 0.81 AVPR1A (0.64) AVPR1AAVPR2
SCHEMBL8314000 0.81 AVPR1A (0.56) AVPR1AAVPR2
SCHEMBL8557218 0.80 AVPR1A (0.60) AVPR1AGAAMAPTGFERRAB9A
SCHEMBL7418830 0.80 ALDH1A1 (0.53) MAPTRAB9AALDH1A1

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