SCHEMBL7308396

SCHEMBL7308396

Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCc3cn[nH]c3-c3cccnc32)c(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 16/20 0.54
AVPR1A P37288 12/20 0.51
OXTR P30559 4/20 0.51
GRM4 Q14833 1/20 0.42

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
SCHEMBL5239551 0.89 AVPR2 (0.67) AVPR2AVPR1A
SCHEMBL5236665 0.89 AVPR2 (0.58) AVPR2AVPR1AOXTR
SCHEMBL9065667 0.87 AVPR2 (0.59) AVPR2AVPR1A
SCHEMBL5320547 0.84 AVPR2 (0.55) AVPR2AVPR1A
SCHEMBL5233202 0.81 AVPR2 (0.81) AVPR2AVPR1AOXTR
SCHEMBL5239585 0.78 AVPR2 (0.73) AVPR2AVPR1AOXTR
SCHEMBL7336311 0.77 AVPR2 (0.60) AVPR2AVPR1AOXTR
SCHEMBL8408815 0.76 AVPR2 (0.77) AVPR2AVPR1AOXTR
SCHEMBL9059943 0.75 AVPR2 (0.75) AVPR2AVPR1A
SCHEMBL8818713 0.75 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
WO-1996022295-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO claimed
US-5532235-A TO TREAT EXCESS RENAL REABSORPTION AMERICAN CYANAMID COMPANY (US) 1996-07-02 US disclosed