SCHEMBL6574220

SCHEMBL6574220

O=C(NN1CCC(c2ccccc2)CC1)OCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.51
SIGMAR1 Q99720 5/20 0.50
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
S1PR1 P21453 1/20 0.48
CHRM4 P08173 3/20 0.46
CHRM2 P08172 2/20 0.44
CHRM5 P08912 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL6574730 0.81 SLC18A3 (0.50) SLC18A3SIGMAR1MEN1TP53KMT2A
SCHEMBL15492542 0.73 SLC18A3 (0.51) SLC18A3SIGMAR1TP53POLB
SCHEMBL27640069 0.73 CA12 (0.49) SLC18A3SIGMAR1TP53CYP1A2CYP2D6
SCHEMBL9523945 0.73 ALDH1A1 (0.50) TSHRCYP2C19ALDH1A1
SCHEMBL7066218 0.72 SIGMAR1 (0.47) SLC18A3SIGMAR1TP53ALDH1A1POLB
SCHEMBL3673656 0.72 ALDH1A1 (0.49) TSHRALDH1A1
SCHEMBL27510732 0.72 CHRM4 (0.46) SLC18A3SIGMAR1MEN1TP53CYP1A2
SCHEMBL7138245 0.71 ALDH1A1 (0.48) CYP2D6TSHRCYP2C19ALDH1A1
SCHEMBL8037871 0.70 ALDH1A1 (0.47) TSHRCYP2C19ALDH1A1
SCHEMBL7181896 0.70 EPHX1 (0.60) MEN1TP53TSHRKMT2AALDH1A1

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