SCHEMBL21534898

SCHEMBL21534898

CCC1CCCN1C(=O)c1ccc(-c2ccc(CCC3CCN(CC(C)(C)F)CC3)c(F)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
POLB P06746 1/20 0.38
MET P08581 5/20 0.38
HSD11B1 P28845 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
ALK Q9UM73 2/20 0.36
PDK2 Q15119 1/20 0.36
HCRTR1 O43613 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 0.87 SPHK1 (0.41) KDM4ELMNAMAPTPOLBMET
SCHEMBL21534903 0.86 ADRB2 (0.48) HTR2AHTR2CPOLBHRH3
SCHEMBL21534879 0.85 PDK2 (0.40) KDM4ELMNAMAPTPOLBMET
SCHEMBL21534833 0.84 CHRM4 (0.41) LMNAPOLBHRH3
SCHEMBL21534925 0.84 PDK2 (0.37) KDM4ELMNAMAPTHTR2AHTR2C
SCHEMBL21534994 0.79 MAOB (0.39) KDM4ELMNAMAPTPOLBMET
SCHEMBL21535065 0.79 OPRM1 (0.39) HTR2AHTR2C
SCHEMBL21534641 0.78 OPRM1 (0.40) HTR2AHTR2C
SCHEMBL16777321 0.78 POLB (0.46) POLBMETPDK2HCRTR1
SCHEMBL15537904 0.78 POLB (0.46) POLBMETPDK2HCRTR1

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