SCHEMBL15538818

SCHEMBL15538818

CC(C)(F)CN1CCC(COc2ccc(-c3ccccc3C(=O)N3CCCC3C(N)=O)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.45
HCRTR2 O43614 2/20 0.45
PDK2 Q15119 1/20 0.42
SCN9A Q15858 1/20 0.42
SPHK2 Q9NRA0 2/20 0.41
SPHK1 Q9NYA1 2/20 0.41
CNR2 P34972 5/20 0.40
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
GYS1 P13807 3/20 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
SCHEMBL15540010 1.00 HCRTR1 (0.45) HCRTR1HCRTR2PDK2SCN9ASPHK2
SCHEMBL15538559 1.00 HCRTR1 (0.45) HCRTR1HCRTR2PDK2SCN9ASPHK2
SCHEMBL15537896 0.97 HCRTR1 (0.46) HCRTR1HCRTR2PDK2SCN9ASPHK2
SCHEMBL15539219 0.97 HCRTR1 (0.46) HCRTR1HCRTR2PDK2SCN9ASPHK2
SCHEMBL15538442 0.97 HCRTR1 (0.46) HCRTR1HCRTR2PDK2SCN9ASPHK2
SCHEMBL15537988 0.92 HCRTR1 (0.47) HCRTR1HCRTR2GYS1
SCHEMBL15538030 0.92 HCRTR1 (0.47) HCRTR1HCRTR2GYS1
SCHEMBL15538728 0.92 HCRTR1 (0.44) HCRTR1HCRTR2PDK2SCN9ASPHK2
SCHEMBL15538731 0.92 HCRTR1 (0.44) HCRTR1HCRTR2PDK2SCN9ASPHK2
SCHEMBL15538578 0.91 PDK2 (0.46) HCRTR1HCRTR2PDK2CNR2KCNH2

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 claimed
WO-2013187646-A1 PIPERIDINE DERIVATIVES FOR GPR119 AGONIST CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2013-12-19 WO claimed