SCHEMBL21535170

SCHEMBL21535170

C=C(c1ccc(-c2ncc(CCC3CCN(CC(C)(C)F)CC3)cn2)cc1F)N1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 13/20 0.35
WNT1 P04628 4/20 0.35
CHRM4 P08173 2/20 0.34
GSK3B P49841 6/20 0.33
HDAC4 P56524 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC1 Q13547 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
GPR119 Q8TDV5 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31

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
SCHEMBL21535006 0.92 DYRK1A (0.33) DYRK1AWNT1CHRM4GSK3BCHRM2
SCHEMBL21534991 0.88 CHRM4 (0.40) DYRK1AWNT1CHRM4CHRM2CHRM5
SCHEMBL21534635 0.87 CHRM4 (0.40) DYRK1AWNT1CHRM4CHRM2CHRM5
SCHEMBL21534666 0.87 CHRM4 (0.40) DYRK1AWNT1CHRM4CHRM2CHRM5
SCHEMBL21534878 0.86 DYRK1A (0.40) DYRK1AWNT1CHRM4GSK3BCHRM2
SCHEMBL21534658 0.85 DYRK1A (0.39) DYRK1AWNT1CHRM4GSK3BCHRM2
SCHEMBL21534872 0.85 CHRM4 (0.35) DYRK1AWNT1CHRM4CHRM2CHRM5
SCHEMBL21535062 0.84 OPRM1 (0.36) DYRK1AWNT1CHRM4CHRM2CHRM5
SCHEMBL21534854 0.84 OPRM1 (0.40) DYRK1AWNT1CHRM4GSK3BCHRM2
SCHEMBL21534881 0.81 OPRM1 (0.37) DYRK1AWNT1CHRM4GSK3BCHRM2

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