SCHEMBL6573457

SCHEMBL6573457

N#CC1CC(c2ccccc2)CCN1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SIGMAR1 Q99720 6/20 0.41
CCR5 P51681 1/20 0.41
DRD2 P14416 1/20 0.41
TP53 P04637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
GBA1 P04062 1/20 0.40
MDM2 Q00987 1/20 0.40
DPP4 P27487 2/20 0.39
KCNA3 P22001 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL28944858 0.79 MEN1 (0.37) MEN1KMT2ASIGMAR1CCR5DRD2
SCHEMBL27393257 0.79 SIGMAR1 (0.52) MEN1KMT2ASIGMAR1CCR5DRD2
SCHEMBL2435647 0.77 DPP4 (0.49) CYP1A2CYP3A4CYP2D6CYP2C19DPP4
SCHEMBL2799626 0.76 DRD2 (0.45) SIGMAR1DRD2DPP4KCNA3
SCHEMBL8127083 0.76 DPP4 (0.45) SIGMAR1CYP1A2CYP2D6TSHRDPP4
SCHEMBL519227 0.76 DPP4 (0.45) DPP4
SCHEMBL9677809 0.73 MAPT (0.44) SIGMAR1
SCHEMBL3406346 0.72 MAPT (0.46) SIGMAR1CCR5TP53MDM2POLB
SCHEMBL5426458 0.72 SIGMAR1 (0.52) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL19002393 0.71 SIGMAR1 (0.48) SIGMAR1

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-1409457-A1 METHOD FOR PREPARING 4-METHYLAMINO-4-PHENYLPIPERIDINE Sanofi-Aventis (FR) 2004-04-21 EP disclosed
WO-2003008381-A1 METHOD FOR PREPARING 4-METHYLAMINO-4-PHENYLPIPERIDINE SANOFI-SYNTHELABO (FR) 2003-01-30 WO disclosed