SCHEMBL7791787

SCHEMBL7791787

O=C(NN1CCNCC1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI1 Q9ULC6 1/20 0.46
PADI4 Q9UM07 1/20 0.46
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CHRM5 P08912 1/20 0.42
CHRM3 P20309 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CYP2C19 P33261 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRNB3 Q05901 1/20 0.41
CHRNA6 Q15825 1/20 0.41
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX2 P34913 1/20 0.40
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CCR2 P41597 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
Hydrochloric Acid SCHEMBL3169421 0.89 CHRNB2 (0.48) PADI1PADI4CHRM5CHRM3SIGMAR1
SCHEMBL11244833 0.84 HDAC8 (0.52) HDAC8HDAC6CYP2C19POLBMEN1
SCHEMBL14084928 0.83 EPHX2 (0.47) PADI1PADI4CHRNB2CHRNA3CHRNA4
SCHEMBL4592225 0.78 EPHX2 (0.51) HDAC8HDAC6CYP2C19POLBMEN1
SCHEMBL28991011 0.78 HDAC8 (0.45) HDAC8HDAC6CYP2C19MEN1KMT2A
SCHEMBL28991008 0.78 HDAC8 (0.45) HDAC8HDAC6CYP2C19MEN1KMT2A
SCHEMBL7926 0.76 EPHX2 (0.49) HDAC8HDAC6CYP2C19POLBMEN1
SCHEMBL9186695 0.75 EPHX2 (0.47) HDAC8HDAC6SIGMAR1CYP2C19POLB
Hydrochloric Acid SCHEMBL28539557 0.74 EPHX2 (0.48) HDAC8HDAC6CYP2C19POLBMEN1
SCHEMBL9349123 0.72 EPHX2 (0.47) HDAC8HDAC6CYP2C19POLBMEN1

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-1150970-A1 (1-PHENACY-3-PHENYL-3-PIPERIDYLETHYL)PIPERIDINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Sanofi-Aventis (FR) 2001-11-07 EP disclosed
WO-2000047572-A1 (1-PHENACY-3-PHENYL-3-PIPERIDYLETHYL)PIPERIDINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI-SYNTHELABO (FR) 2000-08-17 WO disclosed