SCHEMBL872275

SCHEMBL872275

CCOc1ccc(C2(CC(C)CCN)CCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.62
SLC6A2 P23975 10/20 0.62
SLC6A3 Q01959 10/20 0.62
NQO1 P15559 1/20 0.38
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 1/20 0.33
PARP10 Q53GL7 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL878028 0.90 SLC6A2 (0.54) SLC6A4SLC6A2SLC6A3TSHRCA12
SCHEMBL4006943 0.84 SLC6A2 (0.47) SLC6A4SLC6A2SLC6A3MAPT
SCHEMBL15065610 0.83 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3
SCHEMBL3996952 0.83 MAOB (0.47) SLC6A4SLC6A2SLC6A3MAPT
SCHEMBL871578 0.80 SLC6A3 (0.53) SLC6A4SLC6A2SLC6A3
SCHEMBL8606048 0.80 SLC6A3 (0.53) SLC6A4SLC6A2SLC6A3TSHRMAPT
SCHEMBL8040636 0.80 SLC6A3 (0.53) SLC6A4SLC6A2SLC6A3TSHRMAPT
SCHEMBL871941 0.80 SLC6A3 (0.53) SLC6A4SLC6A2SLC6A3TSHRMAPT
SCHEMBL15066384 0.79 SLC6A2 (0.69) SLC6A4SLC6A2SLC6A3
SCHEMBL15065699 0.79 SLC6A2 (0.69) SLC6A4SLC6A2SLC6A3NQO1TSHR

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
EP-2797870-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES Reviva Pharmaceuticals, Inc. (US) 2014-11-05 EP disclosed
WO-2013102195-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS, INC. (US) 2013-07-04 WO disclosed
WO-2012003501-A2 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING CYCLOALKYLMETHYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS, INC. (US) 2012-01-05 WO disclosed