SCHEMBL8317244

SCHEMBL8317244

Cc1ccsc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3sccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 3/20 0.52
AVPR2 P30518 2/20 0.52
PKM P14618 1/20 0.50
AVPR1B P47901 1/20 0.48

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
SCHEMBL7339585 0.89 AVPR2 (0.67) AVPR1AAVPR2
SCHEMBL8318427 0.89 AVPR1A (0.52) AVPR1AAVPR2AVPR1B
SCHEMBL7333980 0.88 AVPR1A (0.65) AVPR1AAVPR2AVPR1B
SCHEMBL8314290 0.86 AVPR1A (0.54) AVPR1AAVPR2AVPR1B
SCHEMBL8314165 0.86 AVPR1A (0.57) AVPR1AAVPR2AVPR1B
SCHEMBL8316290 0.86 AVPR1A (0.56) AVPR1AAVPR2AVPR1B
SCHEMBL8318472 0.86 AVPR2 (0.51) AVPR1AAVPR2PKM
SCHEMBL8315942 0.85 AVPR1A (0.49) AVPR1AAVPR2AVPR1B
SCHEMBL8316941 0.84 AVPR1A (0.63) AVPR1AAVPR2AVPR1B
SCHEMBL7410318 0.83 PKM (0.51) AVPR1AAVPR2PKM

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