SCHEMBL4306495

SCHEMBL4306495

Cc1c(-c2cccc(Cl)c2)n(CC(=O)NC(C)C)c(=O)c2cc(OCCCN3CCCCC3)cn12

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 20/20 0.74

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
SCHEMBL4307532 0.86 AVPR1B (0.53) AVPR1B
SCHEMBL4308725 0.86 AVPR1B (0.75) AVPR1B
SCHEMBL4309808 0.85 AVPR1B (1.00) AVPR1B
Hydrochloric Acid SCHEMBL4318208 0.84 AVPR1B (0.98) AVPR1B
SCHEMBL4309710 0.81 AVPR1B (0.50) AVPR1B
SCHEMBL16424324 0.78 AVPR1B (0.79) AVPR1B
SCHEMBL3116140 0.78 AVPR1B (1.00) AVPR1B
SCHEMBL4307007 0.78 AVPR1B (1.00) AVPR1B
SCHEMBL16424366 0.78 AVPR1B (0.69) AVPR1B
SCHEMBL1687302 0.78 AVPR1B (0.75) 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