SCHEMBL4306396

SCHEMBL4306396

COc1cccc(-c2cn3cc(CCCCN(C)C)cc3c(=O)n2CC(=O)NC(C)C)c1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 20/20 0.62

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
Hydrochloric Acid SCHEMBL4301402 0.99 AVPR1B (0.61) AVPR1B
SCHEMBL4307133 0.91 AVPR1B (0.64) AVPR1B
SCHEMBL4311939 0.90 AVPR1B (0.65) AVPR1B
SCHEMBL8024869 0.88 AVPR1B (0.65) AVPR1B
SCHEMBL4304470 0.86 AVPR1B (0.61) AVPR1B
SCHEMBL4311840 0.86 AVPR1B (0.80) AVPR1B
SCHEMBL8019529 0.86 AVPR1B (0.67) AVPR1B
SCHEMBL4315311 0.86 AVPR1B (0.72) AVPR1B
Hydrochloric Acid SCHEMBL4307146 0.86 AVPR1B (0.79) AVPR1B
SCHEMBL4308801 0.86 AVPR1B (0.79) 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 3 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 claimed
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