SCHEMBL6017453

SCHEMBL6017453

CCCCCCCCN(NC1CCN(C(=O)OCc2ccccc2)CC1)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ HTT P42858 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ GRIN2B Q13224 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ CCR8 P51685 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ GPR119 Q8TDV5 1/20 0.42
▸ ENPP2 Q13822 1/20 0.42
▸ PRCP P42785 1/20 0.42
▸ STS P08842 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41

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
SCHEMBL4014502 0.93 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL4014343 0.83 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL3935756 0.80 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL2827198 0.78 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL951538 0.76 KMT2A (0.59) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL304546 0.76 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL16095464 0.76 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL3722611 0.76 SYK (0.50) SMN1; SMN2L3MBTL1LMNA
SCHEMBL9008880 0.76 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL30306894 0.75 HSD11B1 (0.50) MEN1KMT2AL3MBTL1GPR119STS

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-1720874-A1 4-SUBSTITUTED PIPERIDINE DERIVATIVES Bioaxone Therapeutique Inc. (CA) 2006-11-15 — — EP disclosed
WO-2005080394-A1 4-SUBSTITUTED PIPERIDINE DERIVATIVES BIOAXONE THERAPEUTIQUE INC. (CA) 2005-09-01 — — WO disclosed
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