SCHEMBL21534641

SCHEMBL21534641

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2A P28223 7/20 0.38
HTR2C P28335 7/20 0.38
ADRB2 P07550 1/20 0.36
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.35
DYRK1A Q13627 5/20 0.34
WNT1 P04628 1/20 0.34
CTSC P53634 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CHRM4 P08173 1/20 0.33
GSK3B P49841 2/20 0.33

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
SCHEMBL21535065 0.99 OPRM1 (0.39) OPRM1OPRK1HTR2AHTR2CADRB2
SCHEMBL21534854 0.91 OPRM1 (0.40) OPRM1OPRK1HTR2AHTR2CADRB2
SCHEMBL21534894 0.90 HTR2A (0.35) OPRM1OPRK1HTR2AHTR2CADRB2
SCHEMBL21534891 0.90 OPRM1 (0.40) OPRM1OPRK1HTR2AHTR2CADRB2
SCHEMBL21534926 0.89 HTR2A (0.38) OPRM1OPRK1HTR2AHTR2CMAOB
SCHEMBL21534903 0.89 ADRB2 (0.48) OPRM1OPRK1HTR2AHTR2CADRB2
SCHEMBL21535147 0.87 IKBKE (0.38) OPRM1OPRK1HTR2AHTR2CDYRK1A
SCHEMBL21534972 0.87 MAOB (0.39) MAOBMAOA
SCHEMBL21534922 0.86 DYRK1A (0.40) OPRM1OPRK1HTR2AHTR2CMAOB
SCHEMBL21534621 0.86 MAOB (0.39) MAOBMAOACHRM4

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