SCHEMBL7211730

SCHEMBL7211730

CCCCCN(C)CCCCCCO[C@H]1CC[C@H](N(C)C(=O)Nc2ccc(C)c(C)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.38
UBE2M P61081 2/20 0.37
DCUN1D1 Q96GG9 2/20 0.37
LSS P48449 2/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 3/20 0.36
ATM Q13315 1/20 0.35
RAB9A P51151 2/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL7211726 1.00 DRD4 (0.39) DRD4LMNASMN1; SMN2HTTUBE2M
SCHEMBL7212235 0.88 ATM (0.40) LMNAUBE2MDCUN1D1LSSALDH1A1
SCHEMBL7212232 0.88 ATM (0.40) LMNAUBE2MDCUN1D1LSSALDH1A1
SCHEMBL4804182 0.88 LSS (0.49) DRD4LMNASMN1; SMN2HTTLSS
SCHEMBL4804174 0.88 LSS (0.49) DRD4LMNASMN1; SMN2HTTLSS
SCHEMBL7203366 0.88 CCR5 (0.47) LMNASMN1; SMN2HTTUBE2MDCUN1D1
SCHEMBL7203373 0.88 CCR5 (0.47) LMNASMN1; SMN2HTTUBE2MDCUN1D1
SCHEMBL7208575 0.87 LSS (0.48) LSSATMRAB9A
SCHEMBL7206024 0.87 LSS (0.48) LSSATMRAB9A
SCHEMBL7209439 0.87 FPR3 (0.42) LSSATMRAB9A

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-1311475-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-21 EP disclosed
WO-2002014267-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 WO disclosed