SCHEMBL8676451

SCHEMBL8676451

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CCC(F)(F)C(=O)c4ccccc43)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 17/20 0.58
AVPR1A P37288 10/20 0.58
OXTR P30559 1/20 0.54
AVPR1B P47901 2/20 0.50

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
SCHEMBL8673018 0.93 AVPR2 (0.63) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL9028588 0.87 AVPR2 (0.68) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL8674759 0.87 AVPR2 (0.68) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL9027883 0.87 AVPR2 (0.68) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL9028762 0.86 AVPR2 (0.65) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL9028756 0.86 AVPR2 (0.65) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL8675750 0.86 AVPR2 (0.60) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL8675747 0.86 AVPR2 (0.60) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL8961694 0.83 AVPR2 (0.72) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6989484 0.83 AVPR2 (0.70) AVPR2AVPR1AOXTRAVPR1B

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
US-5710150-A ARGININE VASOPRESSIN ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-01-20 US disclosed
EP-0716083-A1 BENZAZEPINE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND INTERMEDIATE FOR THE SAME YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-06-12 EP disclosed