SCHEMBL4311907

SCHEMBL4311907

CC(C)COC(=O)N1CCC(COc2cc3c(=O)[nH]c(-c4cccc(Cl)c4)cn3c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 17/20 0.52
F2 P00734 1/20 0.38
HRH1 P35367 1/20 0.38
SLC6A15 Q9H2J7 1/20 0.38

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
SCHEMBL4310061 0.92 AVPR1B (0.54) AVPR1BHRH1SLC6A15
SCHEMBL4302954 0.89 AVPR1B (0.53) AVPR1B
SCHEMBL4311903 0.88 AVPR1B (0.48) AVPR1B
SCHEMBL4318184 0.81 AVPR1B (0.55) AVPR1B
SCHEMBL4310057 0.81 AVPR1B (0.49) AVPR1B
SCHEMBL4302952 0.76 AVPR1B (0.46) AVPR1B
SCHEMBL4305854 0.73 AVPR1B (0.42) AVPR1B
SCHEMBL8018250 0.72 TNKS (0.46)
SCHEMBL4314040 0.71 AVPR1B (0.80) AVPR1B
SCHEMBL4318180 0.71 AVPR1B (0.50) 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