SCHEMBL8670815

SCHEMBL8670815

O=C(Nc1ccc(C(=O)N2CCC(F)(F)C(=CCO)c3ccccc32)cc1)c1ccccc1-c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 19/20 0.68
AVPR1A P37288 16/20 0.68
OXTR P30559 1/20 0.58
AVPR1B P47901 1/20 0.53

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
SCHEMBL9028054 1.00 AVPR2 (0.68) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL9028397 0.90 AVPR1A (0.73) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL8670855 0.90 AVPR1A (0.73) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL9028332 0.90 AVPR1A (0.73) AVPR2AVPR1AOXTRAVPR1B
Hydrochloric Acid SCHEMBL9028238 0.90 AVPR2 (0.62) AVPR2AVPR1AOXTRAVPR1B
Hydrochloric Acid SCHEMBL9028246 0.90 AVPR2 (0.62) AVPR2AVPR1AOXTRAVPR1B
Hydrochloric Acid SCHEMBL9028876 0.89 AVPR2 (0.69) AVPR2AVPR1AOXTRAVPR1B
Hydrochloric Acid SCHEMBL9028862 0.89 AVPR2 (0.69) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL9029671 0.89 AVPR1A (0.71) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL9029668 0.89 AVPR1A (0.71) 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