SCHEMBL22018882

SCHEMBL22018882

C=C(NCC1CCN(CC(=O)NC(C)(C)C)CC1)C1(c2ccccc2)CCCC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 3/20 0.51
KCNH2 Q12809 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HTT P42858 2/20 0.48
CACNA1H O95180 6/20 0.47
CACNA1G O43497 1/20 0.47
ACKR3 P25106 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAOB P27338 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL13569808 0.91 CACNA1I (0.44) CACNA1IKCNH2MEN1KMT2ALMNA
SCHEMBL4278224 0.90 CACNA1I (0.60) CACNA1IKCNH2MEN1KMT2ALMNA
SCHEMBL26082220 0.80 CACNA1I (0.74) CACNA1IKCNH2MEN1KMT2ALMNA
SCHEMBL4271317 0.80 CACNA1I (0.60) CACNA1IKCNH2MEN1KMT2ALMNA
SCHEMBL18838262 0.78 CACNA1I (0.72) CACNA1IKCNH2MEN1KMT2ALMNA
SCHEMBL26082223 0.76 CACNA1I (0.68) CACNA1IKCNH2MEN1KMT2ALMNA
SCHEMBL13569814 0.76 CACNA1I (0.57) CACNA1IKCNH2CACNA1HCACNA1GACKR3
SCHEMBL19082642 0.74 CACNA1H (0.65) CACNA1H
SCHEMBL18838427 0.72 CACNA1H (0.61) CACNA1IKCNH2MEN1KMT2ALMNA
SCHEMBL26083171 0.72 CACNA1I (0.67) CACNA1IKCNH2MEN1KMT2ALMNA

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-3189839-B1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS PRAXIS PREC MEDICINES INC (US) 2020-05-20 EP disclosed