SCHEMBL4308725

SCHEMBL4308725

Cc1c(-c2ccc(F)c(C(F)(F)F)c2)n(CC(=O)NC(C)C)c(=O)c2cc(OCCCN3CCCCC3)cn12

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 20/20 0.75

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
SCHEMBL4304952 0.91 AVPR1B (0.63) AVPR1B
SCHEMBL8013549 0.87 AVPR1B (0.56) AVPR1B
SCHEMBL4302783 0.86 AVPR1B (1.00) AVPR1B
SCHEMBL4306495 0.86 AVPR1B (0.74) AVPR1B
SCHEMBL4309843 0.83 AVPR1B (0.52) AVPR1B
SCHEMBL4302720 0.80 AVPR1B (1.00) AVPR1B
SCHEMBL4302713 0.76 AVPR1B (0.44) AVPR1B
SCHEMBL8016403 0.75 AVPR1B (1.00) AVPR1B
SCHEMBL4310820 0.73 AVPR1B (1.00) AVPR1B
SCHEMBL4305975 0.73 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 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