SCHEMBL5239585

SCHEMBL5239585

Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCc3cn[nH]c3-c3ncccc32)cc1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 14/20 0.73
AVPR1A P37288 10/20 0.58
OXTR P30559 1/20 0.45

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
SCHEMBL5239063 0.91 AVPR2 (0.60) AVPR2AVPR1A
SCHEMBL5236665 0.89 AVPR2 (0.58) AVPR2AVPR1AOXTR
SCHEMBL5239551 0.88 AVPR2 (0.67) AVPR2AVPR1A
SCHEMBL5235967 0.85 AVPR2 (0.56) AVPR2AVPR1A
SCHEMBL5235980 0.84 AVPR2 (1.00) AVPR2AVPR1A
SCHEMBL5238090 0.83 AVPR2 (0.57) AVPR2AVPR1A
SCHEMBL27473847 0.83 AVPR2 (0.67) AVPR2AVPR1A
SCHEMBL7335574 0.80 AVPR2 (0.61) AVPR2AVPR1A
SCHEMBL5320547 0.79 AVPR2 (0.55) AVPR2AVPR1A
SCHEMBL7308396 0.78 AVPR2 (0.54) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996022295-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO claimed
EP-0804440-B1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2007-12-19 EP disclosed
US-5532235-A TO TREAT EXCESS RENAL REABSORPTION AMERICAN CYANAMID COMPANY (US) 1996-07-02 US disclosed