SCHEMBL11042018

SCHEMBL11042018

CCOC(=O)C1CC1(C)N

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
LMNA P02545 2/20 0.41
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
MAPT P10636 2/20 0.39
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 3/20 0.37
PPM1B O75688 1/20 0.37
PTPN1 P18031 1/20 0.37
PPP1CC P36873 1/20 0.37
TRPA1 O75762 1/20 0.37
LGMN Q99538 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL294716 0.83 LMNA (0.43) LMNAALOX15MGAMGAASI
SCHEMBL3237652 0.80 MAPT (0.37) CYP1A2LMNAMAPTALDH1A1PPM1B
SCHEMBL16409442 0.79 LMNA (0.41) LMNAALOX15GAAMAPTCYP3A4
SCHEMBL1061265 0.79 SLC6A4 (0.42) CYP1A2ALOX15MAPTPPM1BPTPN1
SCHEMBL12846027 0.77 GAA (0.42) LMNAGAAMAPTCYP3A4CYP2D6
SCHEMBL3691417 0.77 ALDH1A1 (0.47) LMNAALOX15GAAMAPTCYP3A4
SCHEMBL6574520 0.77 MAPT (0.40) CYP1A2LMNAALOX15GAAMAPT
SCHEMBL24766447 0.76 LMNA (0.39) LMNAGAAMAPTCYP3A4CYP2D6
SCHEMBL13449196 0.76 LMNA (0.39) LMNAALOX15GAAMAPTCYP3A4
SCHEMBL24766727 0.76 LMNA (0.39) LMNAGAAMAPTCYP3A4CYP2D6

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-0068999-B1 DERIVATIVES OF 1-ARYL-2-AMINOMETHYL-CYCLOPROPANE-CARBOXAMIDES (Z), THEIR PREPARATION AND THEIR USE AS MEDICINES IN THE TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM PIERRE FABRE S.A. (FR) 1985-05-22 EP disclosed
EP-0068999-A1 Derivatives of 1-aryl-2-aminomethyl-cyclopropane-carboxamides (Z), their preparation and their use as medicines in the treatment of disorders of the central nervous system PIERRE FABRE S.A. (FR) 1983-01-05 EP disclosed