SCHEMBL13569705

SCHEMBL13569705

C=C(NCC1CCN(CC(=O)NC(COC)COC)CC1)c1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.46
CACNA1I Q9P0X4 5/20 0.46
CACNA1G O43497 1/20 0.45
CACNA1H O95180 1/20 0.45
CCR2 P41597 3/20 0.38
USP2 O75604 1/20 0.37
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HTR7 P34969 1/20 0.34

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
SCHEMBL4276888 0.91 KCNH2 (0.56) KCNH2CACNA1ICACNA1GCACNA1HCCR2
SCHEMBL4273390 0.86 KCNH2 (0.63) KCNH2CACNA1ICACNA1GCACNA1HCCR2
SCHEMBL20056101 0.83 CACNA1I (0.49) KCNH2CACNA1ICACNA1GCACNA1HCCR2
SCHEMBL19112926 0.82 CACNA1I (0.56) KCNH2CACNA1ICACNA1GCACNA1HCCR2
SCHEMBL4276850 0.79 CACNA1I (0.61) KCNH2CACNA1ICACNA1GCACNA1HCCR2
SCHEMBL13569697 0.78 KCNH2 (0.45) KCNH2CACNA1ICACNA1GCACNA1HCCR2
SCHEMBL19112577 0.78 KCNH2 (0.49) KCNH2CACNA1ICACNA1GCACNA1HCCR2
SCHEMBL13569753 0.77 KCNH2 (0.47) KCNH2CACNA1ICACNA1GCACNA1HCCR2
SCHEMBL13569812 0.77 KCNH2 (0.55) KCNH2CACNA1ICACNA1GCACNA1HKMT2A
SCHEMBL4284353 0.76 CACNA1I (0.61) KCNH2CACNA1ICACNA1GCACNA1HCCR2

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