SCHEMBL4315048

SCHEMBL4315048

COc1cccc(-c2cn3cc(OCC4CCCN(C)C4)cc3c(=O)n2CC(=O)NC(C)C)c1

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
SCHEMBL4315165 0.92 AVPR1B (1.00) AVPR1B
SCHEMBL4319175 0.83 AVPR1B (1.00) AVPR1B
SCHEMBL4307515 0.83 AVPR1B (1.00) AVPR1B
SCHEMBL8015918 0.82 AVPR1B (0.78) AVPR1B
SCHEMBL4310996 0.80 AVPR1B (0.68) AVPR1B
SCHEMBL8019529 0.79 AVPR1B (0.67) AVPR1B
SCHEMBL4306433 0.79 AVPR1B (0.76) AVPR1B
SCHEMBL4301378 0.78 AVPR1B (0.74) AVPR1B
SCHEMBL3135437 0.78 AVPR1B (0.71) AVPR1B
SCHEMBL8015728 0.78 AVPR1B (0.65) 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