SCHEMBL11048158

SCHEMBL11048158

CN(C)C1(C)CC1(C(=O)O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.44
OPRM1 P35372 7/20 0.42
OPRL1 P41146 7/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
AKR1C1 Q04828 1/20 0.40
OPRK1 P41145 2/20 0.39
NPSR1 Q6W5P4 3/20 0.39
POLB P06746 2/20 0.39
HTT P42858 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
ELOVL1 Q9BW60 1/20 0.37

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
SCHEMBL11048173 0.86 SLC6A4 (0.46) SLC6A4OPRM1OPRL1MEN1KMT2A
SCHEMBL11045957 0.79 OPRM1 (0.49) SLC6A4OPRM1OPRL1MEN1KMT2A
SCHEMBL7602755 0.78 AKR1C1 (0.50) SLC6A4MEN1KMT2AAKR1C1NPSR1
SCHEMBL5129613 0.74 AKR1C1 (0.47) SLC6A4MEN1KMT2AAKR1C1NPSR1
SCHEMBL4639359 0.73 AKR1C1 (0.56) OPRM1OPRL1MEN1KMT2AAKR1C1
SCHEMBL20242106 0.73 SLC6A4 (0.54) SLC6A4OPRM1MEN1KMT2AAKR1C1
SCHEMBL11444396 0.72 MEN1 (0.62) SLC6A4MEN1KMT2AAKR1C1NPSR1
SCHEMBL19469690 0.72 ELOVL1 (0.47) SLC6A4MEN1KMT2AAKR1C1NPSR1
SCHEMBL31687568 0.70 MAPT (0.42) SLC6A4MEN1KMT2APOLBNPC1
SCHEMBL4639100 0.70 AKR1C1 (0.63) MEN1KMT2AAKR1C1NPSR1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4478836-A 1-Aryl 2-aminomethyl cyclopropane carboxyamide (Z) derivatives and their use as useful drugs in the treatment of disturbances of the central nervous system PIERRE FABRE S.A. (FR) 1984-10-23 US disclosed