SCHEMBL5239063

SCHEMBL5239063

Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCc3cn[nH]c3-c3ncccc32)cn1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 11/20 0.60
AVPR1A P37288 7/20 0.48
LMNA P02545 1/20 0.39

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
SCHEMBL5239585 0.91 AVPR2 (0.73) AVPR2AVPR1A
SCHEMBL7335574 0.90 AVPR2 (0.61) AVPR2AVPR1ALMNA
SCHEMBL5320547 0.89 AVPR2 (0.55) AVPR2AVPR1A
SCHEMBL5231105 0.85 AVPR2 (0.82) AVPR2AVPR1ALMNA
SCHEMBL9059936 0.85 AVPR2 (0.46) AVPR2AVPR1A
SCHEMBL9061754 0.83 AVPR2 (0.46) AVPR2AVPR1A
SCHEMBL5236665 0.83 AVPR2 (0.58) AVPR2AVPR1A
SCHEMBL9059603 0.82 AVPR2 (0.51) AVPR2AVPR1A
SCHEMBL7334536 0.81 AVPR2 (0.51) AVPR2AVPR1A
SCHEMBL5239551 0.79 AVPR2 (0.67) 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 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