SCHEMBL3866816

SCHEMBL3866816

CCC(CC)c1ccc(Cl)c2nc(Oc3ccc([S+](C)[O-])c(C)c3Cl)n(C)c12

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.56
CASR P41180 1/20 0.32

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
SCHEMBL3860605 0.84 CRHR1 (0.59) CRHR1CASR
SCHEMBL3868059 0.83 CRHR1 (0.58) CRHR1CASR
SCHEMBL4672562 0.82 CRHR1 (0.68) CRHR1CASR
SCHEMBL2055982 0.77 CRHR1 (0.70) CRHR1CASR
SCHEMBL3216386 0.77 CRHR1 (0.75) CRHR1
SCHEMBL3860001 0.77 CRHR1 (0.55) CRHR1CASR
SCHEMBL3864145 0.75 CRHR1 (0.48) CRHR1CASR
SCHEMBL2056017 0.75 CRHR1 (0.63) CRHR1CASR
SCHEMBL2056009 0.75 CRHR1 (0.69) CRHR1CASR
SCHEMBL3219510 0.75 CRHR1 (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2088861-A2 BENZIMIDAZOLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-08-19 EP disclosed
WO-2008051533-A2 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed