SCHEMBL2545698

SCHEMBL2545698

Cc1ncnn1-c1ccc(Nc2ncn([C@@H](CCCCCl)c3ccc(OC(F)(F)F)c(F)c3)n2)cc1F

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.33
PDE2A O00408 2/20 0.31
GPR139 Q6DWJ6 1/20 0.31

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
SCHEMBL964675 0.81 PDE2A (0.32) PDE2A
SCHEMBL961782 0.73 TRPA1 (0.33)
SCHEMBL965660 0.70 PSEN1 (0.34) PDE2A
SCHEMBL963387 0.69 CYP17A1 (0.31)
SCHEMBL962032 0.68 AXL (0.33)
SCHEMBL961836 0.66
SCHEMBL962703 0.66 PSEN1 (0.51) PDE2A
SCHEMBL965146 0.66 AXL (0.33)
SCHEMBL961791 0.65 PSEN1 (0.42)
SCHEMBL2554009 0.64 ALOX15 (0.35)

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-2379553-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2011-10-26 EP disclosed
WO-2010083141-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-22 WO disclosed