SCHEMBL8317084

SCHEMBL8317084

Cc1cccc(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)c(Cl)c2)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 14/20 1.00
AVPR1A P37288 13/20 1.00
OXTR P30559 1/20 0.76

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
SCHEMBL7339573 0.94 AVPR2 (1.00) AVPR2AVPR1AOXTR
SCHEMBL7332865 0.92 AVPR2 (1.00) AVPR2AVPR1AOXTR
SCHEMBL8314637 0.89 AVPR2 (0.88) AVPR2AVPR1AOXTR
SCHEMBL8316894 0.88 AVPR2 (1.00) AVPR2AVPR1AOXTR
SCHEMBL8316281 0.88 AVPR2 (0.79) AVPR2AVPR1AOXTR
SCHEMBL7002910 0.87 AVPR2 (0.80) AVPR2AVPR1AOXTR
SCHEMBL8317046 0.87 AVPR2 (0.85) AVPR2AVPR1AOXTR
SCHEMBL7331689 0.87 AVPR2 (0.76) AVPR2AVPR1A
SCHEMBL8317230 0.87 AVPR2 (0.80) AVPR2AVPR1AOXTR
Lixivaptan SCHEMBL29373157 0.86 AVPR2 (1.00) AVPR2AVPR1AOXTR

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