SCHEMBL21535147

SCHEMBL21535147

C=C(c1ccc(-c2ccc(CCC3CCN(CC(C)(C)F)CC3)c(C#N)c2)cc1)N1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
GPR119 Q8TDV5 1/20 0.33
S1PR1 P21453 2/20 0.32
DYRK1A Q13627 6/20 0.32
WNT1 P04628 3/20 0.32
AR P10275 1/20 0.31
RORC P51449 2/20 0.31
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
CHRM4 P08173 1/20 0.31
KDM1A O60341 1/20 0.31
GSK3B P49841 3/20 0.31
CTSS P25774 1/20 0.31
CTSC P53634 1/20 0.30
MCHR1 Q99705 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL21535149 0.91 IKBKE (0.36) IKBKETBK1HTR2AHTR2CGPR119
SCHEMBL21042686 0.90 IKBKE (0.39) IKBKETBK1HTR2AHTR2CGPR119
SCHEMBL21534682 0.90 HTR2A (0.37) IKBKETBK1HTR2AHTR2CGPR119
SCHEMBL21042908 0.89 IKBKE (0.38) IKBKETBK1HTR2AHTR2CGPR119
SCHEMBL21534641 0.87 OPRM1 (0.40) HTR2AHTR2CDYRK1AWNT1OPRM1
SCHEMBL21535065 0.86 OPRM1 (0.39) HTR2AHTR2CDYRK1AWNT1OPRM1
SCHEMBL21534972 0.84 MAOB (0.39) HRH3
SCHEMBL21534621 0.83 MAOB (0.39) CHRM4HRH3
SCHEMBL21534996 0.82 KDM1A (0.36) IKBKETBK1HTR2AHTR2CKDM1A
SCHEMBL21534854 0.79 OPRM1 (0.40) HTR2AHTR2CDYRK1AWNT1OPRM1

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