SCHEMBL8314673

SCHEMBL8314673

Cc1ccsc1C(=O)Nc1ccc(C(=O)N2Cc3nccn3Cc3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.55
AVPR1A P37288 4/20 0.55
PKM P14618 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
SCHEMBL8317232 0.88 AVPR2 (0.57) AVPR2AVPR1A
SCHEMBL7339408 0.85 AVPR2 (0.64) AVPR2AVPR1A
SCHEMBL8312663 0.85 AVPR2 (0.52) AVPR2AVPR1A
SCHEMBL7339585 0.85 AVPR2 (0.67) AVPR2AVPR1A
SCHEMBL8313614 0.84 AVPR2 (0.50) AVPR2AVPR1A
SCHEMBL8314589 0.83 AVPR2 (0.54) AVPR2AVPR1APKM
SCHEMBL8318835 0.83 AVPR2 (0.56) AVPR2AVPR1A
SCHEMBL8316632 0.83 AVPR2 (0.56) AVPR2AVPR1A
SCHEMBL8315028 0.82 AVPR2 (0.49) AVPR2AVPR1A
SCHEMBL8317185 0.82 AVPR2 (0.47) AVPR2AVPR1A

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