SCHEMBL7320771

SCHEMBL7320771

Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3sccc3Cc3ncccc32)c(Cl)c1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 17/20 0.79
AVPR1A P37288 16/20 0.60
OXTR P30559 4/20 0.58

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
SCHEMBL8407921 0.82 AVPR2 (0.77) AVPR2AVPR1AOXTR
SCHEMBL9060789 0.82 AVPR2 (0.53) AVPR2AVPR1A
SCHEMBL8406431 0.82 AVPR2 (0.63) AVPR2AVPR1AOXTR
SCHEMBL8820686 0.79 AVPR2 (0.82) AVPR2AVPR1AOXTR
SCHEMBL5239153 0.77 AVPR2 (0.45) AVPR2AVPR1AOXTR
SCHEMBL9060382 0.77 AVPR2 (0.49) AVPR2AVPR1A
SCHEMBL8819700 0.77 AVPR2 (0.69) AVPR2AVPR1AOXTR
SCHEMBL8819604 0.76 AVPR2 (0.78) AVPR2AVPR1AOXTR
SCHEMBL7342127 0.76 AVPR2 (0.77) AVPR2AVPR1AOXTR
SCHEMBL8797804 0.76 AVPR1A (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 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
WO-1996022295-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO disclosed
US-5532235-A TO TREAT EXCESS RENAL REABSORPTION AMERICAN CYANAMID COMPANY (US) 1996-07-02 US disclosed