SCHEMBL8315876

SCHEMBL8315876

O=C(Cc1ccccc1Cl)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccoc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 2/20 0.48
AVPR1A P37288 2/20 0.48
KCNJ5 P48544 1/20 0.41
KCNJ3 P48549 1/20 0.41

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
SCHEMBL8314820 0.90 AVPR2 (0.47) AVPR2AVPR1A
SCHEMBL7344569 0.85 AVPR2 (0.65) AVPR2AVPR1A
SCHEMBL8316944 0.85 AVPR2 (0.61) AVPR2AVPR1A
SCHEMBL8314177 0.84 AVPR2 (0.41) AVPR2AVPR1A
SCHEMBL8313198 0.84 AVPR2 (0.53) AVPR2AVPR1A
SCHEMBL7342197 0.80 NAMPT (0.45)
SCHEMBL8316318 0.80 AVPR2 (0.64) AVPR2AVPR1A
SCHEMBL8314334 0.79 AVPR2 (0.73) AVPR2AVPR1A
SCHEMBL8317927 0.78 TSHR (0.45) AVPR2AVPR1A
SCHEMBL8315651 0.78 AVPR2 (0.61) 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