SCHEMBL20053596

SCHEMBL20053596

CC(F)CN1CCC(COc2ccc(-c3ccc(C(=O)N4CCC[C@H]4C(N)=O)cc3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SPHK2 Q9NRA0 2/20 0.47
SPHK1 Q9NYA1 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HRH3 Q9Y5N1 6/20 0.46
CNR2 P34972 2/20 0.43
ENPP2 Q13822 1/20 0.43
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP2 Q9UGN5 1/20 0.42

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
SCHEMBL16803808 0.90 L3MBTL1 (0.48) NPSR1ALDH1A1SPHK2SPHK1L3MBTL1
SCHEMBL20053752 0.86 SPHK1 (0.47) NPSR1SPHK2SPHK1HRH3CNR2
SCHEMBL16803729 0.85 SPHK2 (0.51) NPSR1ALDH1A1SPHK2SPHK1L3MBTL1
SCHEMBL16803785 0.85 SPHK2 (0.51) NPSR1ALDH1A1SPHK2SPHK1L3MBTL1
SCHEMBL16803898 0.84 SPHK2 (0.50) NPSR1ALDH1A1SPHK2SPHK1L3MBTL1
SCHEMBL16803859 0.83 SPHK1 (0.49) NPSR1ALDH1A1SPHK2SPHK1L3MBTL1
SCHEMBL16803860 0.83 SPHK1 (0.49) NPSR1ALDH1A1SPHK2SPHK1L3MBTL1
SCHEMBL16803773 0.83 SPHK2 (0.47) NPSR1ALDH1A1SPHK2SPHK1L3MBTL1
SCHEMBL16803732 0.83 SPHK1 (0.49) NPSR1ALDH1A1SPHK2SPHK1L3MBTL1
SCHEMBL16803804 0.83 ALDH1A1 (0.47) NPSR1ALDH1A1SPHK2SPHK1L3MBTL1

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
US-9944600-B2 Piperidine derivatives for GPR119 agonist CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-04-17 US disclosed