SCHEMBL4308345

SCHEMBL4308345

CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(OCCC3CCNCC3)cc2c1=O

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 20/20 0.84

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
SCHEMBL4304255 0.92 AVPR1B (1.00) AVPR1B
SCHEMBL4305757 0.88 AVPR1B (1.00) AVPR1B
SCHEMBL4311094 0.88 AVPR1B (0.75) AVPR1B
SCHEMBL4318218 0.85 AVPR1B (1.00) AVPR1B
SCHEMBL4308564 0.85 AVPR1B (0.79) AVPR1B
SCHEMBL4319175 0.83 AVPR1B (1.00) AVPR1B
SCHEMBL4301378 0.83 AVPR1B (0.74) AVPR1B
SCHEMBL4309808 0.83 AVPR1B (1.00) AVPR1B
SCHEMBL4308464 0.82 AVPR1B (0.79) AVPR1B
SCHEMBL4315165 0.82 AVPR1B (1.00) 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 2 patents. 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
WO-2009130231-A1 PYRROLO [1, 2-A] PYRAZINE DERIVATIVES AS VASOPRESSIN VIB RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-10-29 WO disclosed