SCHEMBL20056136

SCHEMBL20056136

CCC(=O)NC1(CC)CCCC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ADRB2 P07550 1/20 0.33
HTT P42858 1/20 0.33
MME P08473 1/20 0.33
LMNA P02545 1/20 0.33
CETP P11597 1/20 0.32
CYP2C19 P33261 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
RAB9A P51151 1/20 0.30
CYP1A2 P05177 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL13274038 0.91 MEN1 (0.36) MEN1KMT2ACYP2C9RAB9AGAA
SCHEMBL12846960 0.85 MME (0.45) MEN1KMT2AALDH1A1ADRB2HTT
SCHEMBL7432517 0.82 ALDH1A1 (0.34) ALDH1A1ADRB2HTTMMELMNA
SCHEMBL880578 0.82 ALDH1A1 (0.34) ALDH1A1ADRB2HTTMMELMNA
SCHEMBL12783465 0.82 ALDH1A1 (0.34) ALDH1A1ADRB2HTTMMELMNA
SCHEMBL16509280 0.82 KMT2A (0.36) MEN1KMT2ACYP1A2
SCHEMBL30325251 0.81 MME (0.42) MEN1KMT2AMME
SCHEMBL15116428 0.80 SMN1; SMN2 (0.34) ALDH1A1ADRB2HTTMMECETP
SCHEMBL23573562 0.80 MME (0.37) ALDH1A1ADRB2HTTMMELMNA
SCHEMBL19388214 0.79 CETP (0.34) ALDH1A1ADRB2HTTMMELMNA

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 2 patents. 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
EP-2300007-B1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TARO PHARMACEUTICALS INC (CA) 2018-04-18 EP disclosed