SCHEMBL8317290

SCHEMBL8317290

O=C(Cc1ccccc1)Nc1ccc(C(=O)N2Cc3ccc(Cl)n3Cc3ccccc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 5/20 0.51
AVPR2 P30518 4/20 0.47
NPY2R P49146 1/20 0.46
HSD11B1 P28845 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
SCHEMBL8317730 0.89 AVPR1A (0.47) AVPR1AAVPR2
SCHEMBL8317444 0.87 AVPR1A (0.48) AVPR1AAVPR2
SCHEMBL8318476 0.86 AVPR1A (0.54) AVPR1AAVPR2
SCHEMBL8312861 0.84 AVPR1A (0.45) AVPR1AAVPR2
SCHEMBL8317993 0.84 AVPR1A (0.47) AVPR1AAVPR2
SCHEMBL8318194 0.81 AVPR2 (0.54) AVPR1AAVPR2
SCHEMBL8317926 0.81 AVPR2 (0.61) AVPR1AAVPR2
SCHEMBL8318185 0.80 AVPR2 (0.59) AVPR1AAVPR2
SCHEMBL7333390 0.80 AVPR2 (0.62) AVPR1AAVPR2
SCHEMBL8315819 0.80 AVPR2 (0.52) 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