SCHEMBL7126061

SCHEMBL7126061

CCCCC(C(=O)O)(c1ccccc1)N1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.45
CHRM3 P20309 6/20 0.42
CHRM2 P08172 3/20 0.41
CHRM1 P11229 3/20 0.41
CYP2D6 P10635 3/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
HTR1A P08908 2/20 0.41
OPRM1 P35372 2/20 0.41
KCNH2 Q12809 2/20 0.41
KDM4E B2RXH2 1/20 0.41
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
HTR2A P28223 1/20 0.41
DRD3 P35462 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
SCN3A Q9NY46 1/20 0.41
LMNA P02545 2/20 0.40

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
SCHEMBL5816021 0.89 CYP2B6 (0.43) CYP2B6CHRM3CHRM2CHRM1CYP2D6
SCHEMBL18112743 0.87 CYP2B6 (0.41) CYP2B6CHRM3CHRM2CHRM1CYP2D6
SCHEMBL2127685 0.85 CYP2B6 (0.50) CYP2B6CHRM3CHRM2CHRM1CYP2D6
SCHEMBL2128439 0.85 CYP2B6 (0.50) CYP2B6CHRM3CHRM2CHRM1CYP2D6
SCHEMBL327106 0.84 CYP2B6 (0.45) CYP2B6CHRM3CHRM2CHRM1CYP2D6
SCHEMBL4901870 0.80 CYP2B6 (0.45) CYP2B6CHRM3CHRM2CHRM1CYP2D6
SCHEMBL703097 0.77 CYP2B6 (0.44) CYP2B6CHRM3CHRM2CHRM1CYP2D6
SCHEMBL7965625 0.76 NPC1 (0.43) CYP2B6CHRM3CYP2D6KDM4ELMNA
SCHEMBL14476967 0.75 CHRM3 (0.41) CYP2B6CHRM3CHRM2CHRM1CYP2D6
SCHEMBL30607042 0.74 SLC6A2 (0.43) CYP2B6CHRM3KCNH2LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004043922-A8 METHOD OF PREPARATION OF TERFENADINE AND ITS DERIVATIVES ZENTIVA AS (SK) 2004-09-10 WO disclosed
WO-2004043922-A1 METHOD OF PREPARATION OF TERFENADINE AND ITS DERIVATIVES ZENTIVA, A.S. (SK) 2004-05-27 WO disclosed
WO-2004043922-A1 METHOD OF PREPARATION OF TERFENADINE AND ITS DERIVATIVES ZENTIVA, A.S. (SK) 2004-05-27 WO disclosed