N-Methylpiperidine

N-Methylpiperidine

SCHEMBL3416209

CCC(=O)O.CN1CCCCC1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.53
CYP1A2 P05177 2/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 2/20 0.41
HTR1A P08908 1/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SIGMAR1 Q99720 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
N-Methyl Pyrrolidine (Nmp) SCHEMBL3408004 1.00 FFAR3 (0.53) FFAR3CYP1A2MAPK1SMN1; SMN2HTT
Propionic Acid SCHEMBL1535850 0.92
N-Methylpiperidine SCHEMBL2170659 0.86 FFAR3 (0.56) FFAR3CYP1A2MAPK1SMN1; SMN2KMT2A
N-Methylpiperidine SCHEMBL3849400 0.83 ALDH1A1 (0.47) CYP1A2MAPK1SMN1; SMN2HTTLMNA
N-Methylpiperidine SCHEMBL3145445 0.83 CYP1A2 (0.48) FFAR3CYP1A2MAPK1SMN1; SMN2HTT
Butyric Acid SCHEMBL3414498 0.83 FFAR3 (0.59) FFAR3CYP1A2MAPK1SMN1; SMN2KMT2A
Adipic Acid SCHEMBL29098178 0.83 CYP1A2 (0.63) CYP1A2MAPK1SMN1; SMN2KMT2ALMNA
Adipic Acid SCHEMBL29098179 0.83 CYP1A2 (0.63) CYP1A2MAPK1SMN1; SMN2KMT2ALMNA
Valeric Acid SCHEMBL3416722 0.83 CYP1A2 (0.57) CYP1A2MAPK1SMN1; SMN2KMT2AALDH1A1
Adipic Acid SCHEMBL29021414 0.81 CYP1A2 (0.61) CYP1A2MAPK1SMN1; SMN2KMT2ALMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265617-B1 SOLVENTS BIONIQS LTD (GB) 2014-07-02 EP claimed
EP-2265617-A1 SOLVENTS Bioniqs Limited (GB) 2010-12-29 EP claimed
WO-2009034329-A1 SOLVENTS BIONIQS LIMITED (GB) 2009-03-19 WO claimed
EP-2265617-B1 SOLVENTS BIONIQS LTD (GB) 2014-07-02 EP disclosed
EP-2265617-A1 SOLVENTS Bioniqs Limited (GB) 2010-12-29 EP disclosed
WO-2009034329-A1 SOLVENTS BIONIQS LIMITED (GB) 2009-03-19 WO disclosed