SCHEMBL4305750

SCHEMBL4305750

CC(C)NC(=O)Cn1c(-c2cccc(C(F)(F)F)c2)cn2cc(CCCCOS(C)(=O)=O)cc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 20/20 0.49

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
SCHEMBL4302531 0.90 AVPR1B (0.50) AVPR1B
SCHEMBL4302699 0.88 AVPR1B (0.50) AVPR1B
SCHEMBL4304470 0.88 AVPR1B (0.61) AVPR1B
SCHEMBL8010786 0.85 AVPR1B (0.51) AVPR1B
SCHEMBL4308546 0.85 AVPR1B (0.62) AVPR1B
SCHEMBL4304233 0.84 AVPR1B (0.64) AVPR1B
Hydrochloric Acid SCHEMBL4302648 0.83 AVPR1B (0.63) AVPR1B
SCHEMBL8019532 0.80 AVPR1B (0.53) AVPR1B
SCHEMBL8019481 0.79 AVPR1B (0.51) AVPR1B
SCHEMBL8023431 0.78 AVPR1B (0.55) AVPR1B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009130231-A1 PYRROLO [1, 2-A] PYRAZINE DERIVATIVES AS VASOPRESSIN VIB RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-10-29 WO disclosed