SCHEMBL8006439

SCHEMBL8006439

CC(C)NC(=O)Cn1c(-c2ccc(F)c(Cl)c2)cn2cc(OCCCO)cc2c1=O

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 20/20 0.80

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
SCHEMBL8016403 0.89 AVPR1B (1.00) AVPR1B
SCHEMBL4308564 0.89 AVPR1B (0.79) AVPR1B
SCHEMBL4307580 0.88 AVPR1B (0.79) AVPR1B
SCHEMBL4311943 0.87 AVPR1B (0.79) AVPR1B
SCHEMBL4305688 0.84 AVPR1B (0.81) AVPR1B
SCHEMBL4304513 0.84 AVPR1B (0.79) AVPR1B
SCHEMBL4302774 0.82 AVPR1B (0.79) AVPR1B
SCHEMBL4302783 0.78 AVPR1B (1.00) AVPR1B
SCHEMBL4309808 0.78 AVPR1B (1.00) AVPR1B
SCHEMBL4301378 0.78 AVPR1B (0.74) 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