SCHEMBL8317833

SCHEMBL8317833

O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.72
AVPR1A P37288 4/20 0.72

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
SCHEMBL7331296 0.89 AVPR2 (0.80) AVPR2AVPR1A
SCHEMBL7335347 0.89 AVPR2 (0.74) AVPR2AVPR1A
SCHEMBL7334123 0.89 AVPR2 (0.82) AVPR2AVPR1A
SCHEMBL5739957 0.89 AVPR2 (0.70) AVPR2AVPR1A
SCHEMBL5739086 0.87 AVPR2 (0.76) AVPR2AVPR1A
SCHEMBL8315055 0.87 AVPR2 (0.68) AVPR2AVPR1A
SCHEMBL7331689 0.86 AVPR2 (0.76) AVPR2AVPR1A
SCHEMBL7340480 0.86 AVPR2 (0.70) AVPR2AVPR1A
SCHEMBL7333136 0.86 AVPR2 (0.68) AVPR2AVPR1A
SCHEMBL7334195 0.86 AVPR2 (0.68) 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