SCHEMBL21116042

SCHEMBL21116042

CCc1ccc(-c2ccccc2CC(C)(C)C)cn1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.37
▸ GRM5 P41594 1/20 0.36
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ BRS3 P32247 3/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ RIPK1 Q13546 2/20 0.34
▸ HCRTR1 O43613 2/20 0.34
▸ HCRTR2 O43614 2/20 0.34
▸ SCN9A Q15858 3/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRK1 P41145 1/20 0.33

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
SCHEMBL8280206 0.81 DPP4 (0.50) TRPA1GRM5ALOX5APFEN1PTGS1
SCHEMBL18014697 0.79 CYP2A6 (0.47) GRM5ALOX5APBRS3SCN9A
SCHEMBL31359602 0.76 HPGD (0.45) GRM5ALOX5APFEN1BRS3PTGS1
SCHEMBL22548828 0.73 KCNA5 (0.55) PTGS2
SCHEMBL5336630 0.73 DPP4 (0.54) RIPK1
SCHEMBL12775791 0.72 ATM (0.41) RIPK1
SCHEMBL26040044 0.72 PRMT5 (0.46) PTGS1PTGS2
SCHEMBL10271458 0.71 RAB9A (0.45) —
SCHEMBL9498645 0.71 LMNA (0.38) TRPA1PTGS1PTGS2OPRM1OPRK1
SCHEMBL19111144 0.70 PIK3CA (0.33) BRS3

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
EP-3052495-B1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2019-06-26 — — EP disclosed
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