SCHEMBL15539101

SCHEMBL15539101

CC(C)(F)CN1CCC(COc2ccc(-c3cccc(F)c3C(=O)N3CCCC3C(N)=O)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.42
CNR2 P34972 5/20 0.41
GYS1 P13807 9/20 0.40
SPHK2 Q9NRA0 2/20 0.40
SPHK1 Q9NYA1 2/20 0.40
PDK2 Q15119 1/20 0.39
SCN3A Q9NY46 1/20 0.38

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
SCHEMBL15539344 1.00 SCN9A (0.42) SCN9ACNR2GYS1SPHK2SPHK1
SCHEMBL15540341 0.98 CNR2 (0.41) SCN9ACNR2GYS1SPHK2SPHK1
SCHEMBL15540092 0.98 CNR2 (0.41) SCN9ACNR2GYS1SPHK2SPHK1
SCHEMBL15540077 0.98 CNR2 (0.41) SCN9ACNR2GYS1SPHK2SPHK1
SCHEMBL15539341 0.93 SCN9A (0.41) SCN9ACNR2GYS1SPHK2SPHK1
SCHEMBL16758139 0.92 SCN9A (0.42) SCN9ACNR2GYS1SPHK2SPHK1
SCHEMBL15539098 0.91 PDK2 (0.42) SCN9ACNR2SPHK2SPHK1PDK2
SCHEMBL15540030 0.90 CNR2 (0.39) SCN9ACNR2GYS1SPHK2SPHK1
SCHEMBL15539405 0.89 CNR2 (0.43) SCN9ACNR2
SCHEMBL15537620 0.89 CNR2 (0.41) SCN9ACNR2SPHK2SPHK1PDK2

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-2858986-A1 PIPERIDINE DERIVATIVES FOR GPR119 AGONIST Chong Kun Dang Pharmaceutical Corp. (KR) 2015-04-15 EP disclosed
WO-2013187646-A1 PIPERIDINE DERIVATIVES FOR GPR119 AGONIST CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2013-12-19 WO disclosed