SCHEMBL20053752

SCHEMBL20053752

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

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.47
SPHK2 Q9NRA0 3/20 0.47
POLB P06746 2/20 0.47
HRH3 Q9Y5N1 7/20 0.46
CNR2 P34972 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL15537650 0.89 SPHK1 (0.44) SPHK1SPHK2POLBHRH3
SCHEMBL15539929 0.89 SPHK1 (0.44) SPHK1SPHK2POLBHRH3
SCHEMBL15539930 0.89 SPHK1 (0.44) SPHK1SPHK2POLBHRH3
SCHEMBL20053596 0.86 NPSR1 (0.48) SPHK1SPHK2HRH3CNR2NPSR1
SCHEMBL15539106 0.85 SPHK2 (0.51) SPHK1SPHK2POLBHRH3
SCHEMBL15539080 0.85 SPHK2 (0.51) SPHK1SPHK2POLBHRH3
SCHEMBL15539078 0.85 SPHK2 (0.51) SPHK1SPHK2POLBHRH3
SCHEMBL15539131 0.84 SPHK2 (0.49) SPHK1SPHK2POLBHRH3
SCHEMBL15539132 0.84 SPHK2 (0.49) SPHK1SPHK2POLBHRH3
SCHEMBL15540017 0.83 SPHK1 (0.46) SPHK1SPHK2POLBHRH3CNR2

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