SCHEMBL13569697

SCHEMBL13569697

C=C(CN1CCC(CNC(=C)c2cc(F)cc(C(F)(F)F)c2)CC1)NCCC

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.45
CACNA1I Q9P0X4 5/20 0.45
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41
UBE2M P61081 6/20 0.35
DCUN1D1 Q96GG9 6/20 0.35
CCR2 P41597 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 2/20 0.33
CXCR3 P49682 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 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
SCHEMBL20056101 0.91 CACNA1I (0.49) KCNH2CACNA1ICACNA1GCACNA1HUBE2M
SCHEMBL4278341 0.81 KCNH2 (0.61) KCNH2CACNA1ICACNA1GCACNA1HCCR2
SCHEMBL13569812 0.80 KCNH2 (0.55) KCNH2CACNA1ICACNA1GCACNA1HKMT2A
SCHEMBL13569753 0.79 KCNH2 (0.47) KCNH2CACNA1ICACNA1GCACNA1HCCR2
SCHEMBL19113353 0.79 KCNH2 (0.48) KCNH2CACNA1ICACNA1GCACNA1HCCR2
SCHEMBL20056395 0.78 KCNH2 (0.43) KCNH2CACNA1ICACNA1GCACNA1HCCR2
SCHEMBL13569705 0.78 KCNH2 (0.46) KCNH2CACNA1ICACNA1GCACNA1HCCR2
SCHEMBL13569693 0.78 CACNA1I (0.59) KCNH2CACNA1ICACNA1GCACNA1H
SCHEMBL13569872 0.78 CACNA1I (0.51) KCNH2CACNA1ICACNA1GCACNA1HCCR2
SCHEMBL13569802 0.77 NPY5R (0.42) KCNH2CACNA1ICACNA1GCACNA1HPOLB

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