SCHEMBL21535149

SCHEMBL21535149

C=C(c1ccc(-c2ccc(CCC3CCN(CC(C)(C)F)CC3)c(C#N)c2)cc1)N1CCCC(O)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
HRH3 Q9Y5N1 3/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
ITGB3 P05106 2/20 0.31
ITGA2B P08514 2/20 0.31
GPR119 Q8TDV5 1/20 0.31
WNT1 P04628 1/20 0.30
DYRK1A Q13627 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
SCHEMBL21535147 0.91 IKBKE (0.38) IKBKETBK1HRH3HTR2AHTR2C
SCHEMBL21042686 0.86 IKBKE (0.39) IKBKETBK1HRH3HTR2AHTR2C
SCHEMBL21534693 0.85 HTR2A (0.35) IKBKETBK1HRH3HTR2AHTR2C
SCHEMBL21042908 0.85 IKBKE (0.38) IKBKETBK1HTR2AHTR2CGPR119
SCHEMBL21534996 0.83 KDM1A (0.36) IKBKETBK1HTR2AHTR2C
SCHEMBL21534859 0.81 DYRK1A (0.35) HRH3GPR119WNT1DYRK1A
SCHEMBL21534682 0.81 HTR2A (0.37) IKBKETBK1HTR2AHTR2CITGB3
SCHEMBL21535067 0.80 OPRM1 (0.36) HRH3HTR2AHTR2CWNT1DYRK1A
SCHEMBL21534894 0.80 HTR2A (0.35) HTR2AHTR2CWNT1DYRK1A
SCHEMBL21535065 0.79 OPRM1 (0.39) HTR2AHTR2CWNT1DYRK1A

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