SCHEMBL8564983

SCHEMBL8564983

Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cc(Cl)ccc3Oc3ccccc32)cc1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.56
AVPR1A P37288 3/20 0.56
OXTR P30559 1/20 0.53

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
SCHEMBL8559404 0.94 AVPR2 (0.49) AVPR2AVPR1A
SCHEMBL8559608 0.92 AVPR2 (0.49) AVPR2AVPR1A
SCHEMBL8556495 0.91 AVPR2 (0.55) AVPR2AVPR1A
SCHEMBL8559574 0.91 AVPR1A (0.56) AVPR2AVPR1A
SCHEMBL8561578 0.89 AVPR1A (0.55) AVPR2AVPR1A
SCHEMBL8565042 0.89 AVPR2 (0.62) AVPR2AVPR1A
SCHEMBL8558657 0.89 ACHE (0.54) AVPR2AVPR1A
SCHEMBL8557887 0.85 AVPR2 (0.51) AVPR2AVPR1AOXTR
SCHEMBL8557426 0.79 NPC1 (0.49) AVPR2AVPR1A
SCHEMBL7331858 0.78 AVPR2 (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640592-B1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID CO (US) 1998-12-30 EP disclosed
EP-0640592-A1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1995-03-01 EP disclosed