SCHEMBL11048826

SCHEMBL11048826

CN(C)CC1CC1(C(=O)Cl)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.68
SIGMAR1 Q99720 2/20 0.53
SLC6A2 P23975 12/20 0.50
SLC6A4 P31645 9/20 0.50
CYP2D6 P10635 1/20 0.48
HTR2C P28335 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL11047938 0.88 SLC6A3 (0.72) SLC6A3SIGMAR1SLC6A2SLC6A4CYP2D6
SCHEMBL142605 0.85 SLC6A3 (0.77) SLC6A3SIGMAR1SLC6A2SLC6A4CYP2D6
SCHEMBL140633 0.85 SLC6A3 (0.68) SLC6A3SIGMAR1SLC6A2SLC6A4CYP2D6
SCHEMBL10831116 0.82 SIGMAR1 (0.71) SLC6A3SIGMAR1HTR2C
SCHEMBL145634 0.80 SLC6A3 (0.66) SLC6A3SIGMAR1SLC6A2SLC6A4CYP2D6
SCHEMBL11046164 0.80 SLC6A3 (0.66) SLC6A3SIGMAR1SLC6A2SLC6A4CYP2D6
SCHEMBL20250240 0.80 SLC6A2 (0.46) SLC6A3SLC6A2SLC6A4CYP2D6HTR2C
SCHEMBL15433977 0.80 SLC6A2 (0.64) SLC6A3SLC6A2SLC6A4CYP2D6HTR2C
SCHEMBL10830294 0.79 SLC6A3 (0.61) SLC6A3SIGMAR1SLC6A2SLC6A4CYP2D6
SCHEMBL141031 0.78 SLC6A2 (0.58) SLC6A3SIGMAR1SLC6A2SLC6A4

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