SCHEMBL13459232

SCHEMBL13459232

CCCN(CCC)c1c(Cl)ccc2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 20/20 0.76

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
SCHEMBL13459582 0.86 CRHR1 (1.00) CRHR1
SCHEMBL13325127 0.85 CRHR1 (1.00) CRHR1
SCHEMBL13459584 0.85 CRHR1 (1.00) CRHR1
SCHEMBL13459216 0.82 CRHR1 (0.76) CRHR1
SCHEMBL13325132 0.80 CRHR1 (0.85) CRHR1
SCHEMBL13459567 0.80 CRHR1 (0.73) CRHR1
SCHEMBL2085414 0.74 CRHR1 (0.67) CRHR1
SCHEMBL2055975 0.74 CRHR1 (1.00) CRHR1
SCHEMBL2055917 0.74 CRHR1 (0.64) CRHR1
SCHEMBL13325000 0.74 CRHR1 (1.00) CRHR1

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-2010032461-A1 NITROGEN-CONTAINING FUSED RING COMPOUND 武田薬品工業株式会社 (JP) 2010-03-25 WO disclosed