SCHEMBL4307530

SCHEMBL4307530

COc1ccc(-c2cn3cc(C#CCCO)cc3c(=O)n2CC(=O)NC(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 20/20 0.50

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
SCHEMBL4305682 0.89 AVPR1B (0.48) AVPR1B
SCHEMBL4305946 0.87 AVPR1B (0.47) AVPR1B
SCHEMBL4306316 0.85 AVPR1B (0.50) AVPR1B
SCHEMBL4310055 0.84 AVPR1B (0.62) AVPR1B
SCHEMBL4305772 0.84 AVPR1B (0.52) AVPR1B
SCHEMBL8021539 0.83 AVPR1B (0.53) AVPR1B
SCHEMBL4309964 0.82 AVPR1B (0.47) AVPR1B
SCHEMBL8019480 0.82 AVPR1B (0.56) AVPR1B
SCHEMBL8019481 0.75 AVPR1B (0.51) AVPR1B
SCHEMBL8010651 0.75 AVPR1B (0.66) 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 1 patent. 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