SCHEMBL21534879

SCHEMBL21534879

CCC1CCCN1C(=O)c1ccc(-c2ccc(CCC3CCN(CC(C)(C)F)CC3)cc2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.40
POLB P06746 2/20 0.39
MET P08581 2/20 0.37
SPHK1 Q9NYA1 7/20 0.36
SPHK2 Q9NRA0 5/20 0.36
ROCK2 O75116 1/20 0.36
HSD11B1 P28845 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
KDM1A O60341 1/20 0.35
ALK Q9UM73 1/20 0.35

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
SCHEMBL21534822 0.90 SPHK1 (0.41) POLBMETSPHK1SPHK2KDM4E
SCHEMBL21534898 0.85 KDM4E (0.40) PDK2POLBMETHSD11B1KDM4E
SCHEMBL21534833 0.83 CHRM4 (0.41) POLBLMNA
SCHEMBL21534994 0.82 MAOB (0.39) POLBMETSPHK1SPHK2KDM4E
SCHEMBL21534910 0.80 PDK2 (0.41) PDK2POLBROCK2HSD11B1LMNA
SCHEMBL21534925 0.80 PDK2 (0.37) PDK2POLBMETROCK2HSD11B1
SCHEMBL15537885 0.79 POLB (0.47) PDK2POLBMETSPHK1SPHK2
SCHEMBL15537889 0.79 POLB (0.47) PDK2POLBMETSPHK1SPHK2
SCHEMBL15539063 0.79 POLB (0.47) PDK2POLBMETSPHK1SPHK2
SCHEMBL21534848 0.79 KDM1A (0.38) KDM1A

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-2858986-B1 PIPERIDINE DERIVATIVES AS GPR119 AGONISTS CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2019-10-30 EP disclosed