SCHEMBL21534872

SCHEMBL21534872

C=C(c1ccc(-c2ccc(CCC3CCN(CC(C)(C)F)CC3)cc2F)cc1F)N1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
KDM1A O60341 5/20 0.34
CHRM2 P08172 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CHKA P35790 1/20 0.33
WNT1 P04628 1/20 0.33
DYRK1A Q13627 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
MAOB P27338 4/20 0.32
MAOA P21397 1/20 0.32

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
SCHEMBL21535062 0.99 OPRM1 (0.36) CHRM4OPRM1OPRK1KDM1ACHRM2
SCHEMBL21534991 0.91 CHRM4 (0.40) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL21534635 0.90 CHRM4 (0.40) CHRM4OPRM1OPRK1CHRM2CHRM5
SCHEMBL21534666 0.90 CHRM4 (0.40) CHRM4OPRM1OPRK1CHRM2CHRM5
SCHEMBL21534848 0.89 KDM1A (0.38) OPRM1OPRK1KDM1ACHKAMAOB
SCHEMBL21534963 0.88 KDM1A (0.38) OPRM1OPRK1KDM1ACHKAMAOB
SCHEMBL21534911 0.85 SMN1; SMN2 (0.35) CHRM4OPRM1OPRK1KDM1AALOX5AP
SCHEMBL21535170 0.85 DYRK1A (0.35) CHRM4OPRM1OPRK1CHRM2CHRM5
SCHEMBL21535094 0.84 KDM1A (0.35) OPRM1OPRK1KDM1AMAOBMAOA
SCHEMBL21534854 0.84 OPRM1 (0.40) CHRM4OPRM1OPRK1CHRM2CHRM5

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