SCHEMBL6576265

SCHEMBL6576265

CC(=O)Nc1ccc(CN2CCC(c3ccccc3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.64
KDM4E B2RXH2 1/20 0.63
ALDH1A1 P00352 1/20 0.63
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
OPRM1 P35372 1/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
MAPT P10636 1/20 0.57
STAT1 P42224 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MCHR1 Q99705 2/20 0.56
DRD2 P14416 1/20 0.55
TP53 P04637 1/20 0.54
POLB P06746 1/20 0.54
CHRM4 P08173 1/20 0.54
ACHE P22303 1/20 0.53

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
SCHEMBL27360724 0.85 CCR5 (0.53) CCR5KDM4EALDH1A1DRD2CHRM4
SCHEMBL14003470 0.83 DRD2 (0.80) CCR5MCHR1DRD2
SCHEMBL27360726 0.83 PKM (0.55) CCR5MCHR1DRD2CHRM4ACHE
SCHEMBL7802383 0.82 HDAC3 (0.56) CCR5MEN1KMT2ANPC1RAB9A
SCHEMBL8940292 0.82 ALDH1A1 (0.71) KDM4EALDH1A1MEN1KMT2AOPRM1
SCHEMBL11690275 0.81 ALDH1A1 (0.59) CCR5KDM4EALDH1A1MEN1KMT2A
SCHEMBL16665723 0.81 ALDH1A1 (0.69) CCR5KDM4EALDH1A1MEN1KMT2A
SCHEMBL12966205 0.80 KDM1A (0.74) DRD2
Hydrochloric Acid SCHEMBL16654841 0.80 ALDH1A1 (0.68) CCR5KDM4EALDH1A1MEN1KMT2A
SCHEMBL12813742 0.80 KDM1A (0.74) DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409458-A1 METHOD FOR PREPARING 4-AMINO-4-PHENYLPIPERIDINES Sanofi-Aventis (FR) 2004-04-21 EP disclosed
EP-1409457-A1 METHOD FOR PREPARING 4-METHYLAMINO-4-PHENYLPIPERIDINE Sanofi-Aventis (FR) 2004-04-21 EP disclosed
WO-2003008382-A1 METHOD FOR PREPARING 4-AMINO-4-PHENYLPIPERIDINES SANOFI-SYNTHELABO (FR) 2003-01-30 WO disclosed
WO-2003008381-A1 METHOD FOR PREPARING 4-METHYLAMINO-4-PHENYLPIPERIDINE SANOFI-SYNTHELABO (FR) 2003-01-30 WO disclosed
EP-1119552-A1 UREIDOPIPERIDINE DERIVATIVES AS SELECTIVE HUMAN NK 3? RECEPTOR ANTAGONISTS SANOFI-SYNTHELABO (FR) 2001-08-01 EP disclosed
WO-2000021931-A1 UREIDOPIPERIDINE DERIVATIVES AS SELECTIVE HUMAN NK3 RECEPTOR ANTAGONISTS SANOFI-SYNTHELABO (FR) 2000-04-20 WO disclosed
EP-0807111-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1997-11-19 EP disclosed