SCHEMBL13569698

SCHEMBL13569698

C=C(NCC1CCN(C(=O)CN2CCCC(O)C2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.45
CACNA1I Q9P0X4 2/20 0.45
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.38
CCR2 P41597 1/20 0.37
WNT3 P56703 1/20 0.37
SFRP1 Q8N474 1/20 0.37
RHOA P61586 7/20 0.36
RHOC P08134 2/20 0.36
TACR2 P21452 1/20 0.36
TACR1 P25103 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL13569702 0.95 LMNA (0.41) KCNH2CACNA1ILMNAALDH1A1CCR2
SCHEMBL4282723 0.90 KCNH2 (0.56) KCNH2CACNA1ILMNAALDH1A1CCR2
SCHEMBL4280512 0.85 KCNH2 (0.50) KCNH2CACNA1ILMNAALDH1A1CCR2
SCHEMBL4284054 0.84 KCNH2 (0.60) KCNH2CACNA1ICCR2
SCHEMBL4284052 0.84 KCNH2 (0.60) KCNH2CACNA1ICCR2
SCHEMBL13569689 0.83 KCNH2 (0.49) KCNH2CACNA1IALDH1A1CCR2RHOA
SCHEMBL13569688 0.81 KCNH2 (0.49) KCNH2CACNA1ICCR2TACR1
SCHEMBL4279833 0.81 KCNH2 (0.58) KCNH2CACNA1IALDH1A1CCR2TACR2
SCHEMBL20056370 0.81 KCNH2 (0.39) KCNH2CACNA1IALDH1A1CCR2TACR1
SCHEMBL19113254 0.80 KCNH2 (0.61) KCNH2CACNA1I

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
WO-2009146540-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD (CA) 2009-12-10 WO disclosed