SCHEMBL4310901

SCHEMBL4310901

[CH2]CC/C=C/c1cc2c(=O)n(CC(=O)NC(C)C)c(-c3cccc(OC)c3)cn2c1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 20/20 0.60

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
SCHEMBL4310899 1.00 AVPR1B (0.60) AVPR1B
SCHEMBL8010972 0.92 AVPR1B (0.61) AVPR1B
SCHEMBL4454895 0.91 AVPR1B (0.62) AVPR1B
SCHEMBL4446619 0.91 AVPR1B (0.62) AVPR1B
SCHEMBL8015728 0.89 AVPR1B (0.65) AVPR1B
SCHEMBL8019908 0.88 AVPR1B (0.59) AVPR1B
SCHEMBL4439704 0.88 AVPR1B (0.74) AVPR1B
SCHEMBL8022833 0.87 AVPR1B (0.77) AVPR1B
SCHEMBL4446702 0.87 AVPR1B (0.77) AVPR1B
SCHEMBL4310996 0.82 AVPR1B (0.68) 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