SCHEMBL2928906

SCHEMBL2928906

COc1ccc(C2=NC(Cc3ccc(C(C)C)cc3)CNc3ccc(Cl)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 10/20 0.40
CCKBR P32239 2/20 0.40
NPBWR1 P48145 1/20 0.37
CNR2 P34972 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RET P07949 1/20 0.36

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
SCHEMBL2267540 0.88 CCKBR (0.41) CHRM1CCKBR
SCHEMBL3234636 0.88 CCKBR (0.41) CHRM1CCKBR
SCHEMBL607140 0.83 CCKBR (0.56) CHRM1CCKBR
SCHEMBL2268176 0.78 CHRM1 (0.40) CHRM1CCKBRMAPTSMN1; SMN2
SCHEMBL2269267 0.78 MEN1 (0.39) CHRM1CCKBR
SCHEMBL607671 0.74 OPRK1 (0.47) GAA
SCHEMBL608046 0.73 CCKBR (0.52) CHRM1CCKBR
SCHEMBL3226742 0.73 CHRM1 (0.39) CHRM1CCKBR
SCHEMBL3233295 0.72 CCKBR (0.43) CHRM1CCKBR
SCHEMBL2268380 0.71 CCKBR (0.41) CHRM1CCKBRTP53

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-2139331-A1 COMPOSITIONS AND METHODS RELATING TO NOVEL COMPOUNDS AND TARGETS THEREOF The Regents of the University of Michigan (US) 2010-01-06 EP disclosed
WO-2008112553-A1 COMPOSITIONS AND METHODS RELATING TO NOVEL COMPOUNDS AND TARGETS THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-09-18 WO disclosed