SCHEMBL878028

SCHEMBL878028

CCCCOc1ccc(C2(CC(C)CCN)CCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.54
SLC6A3 Q01959 6/20 0.54
SLC6A4 P31645 6/20 0.54
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 2/20 0.39
SLC2A1 P11166 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
LTA4H P09960 1/20 0.35

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
SCHEMBL872275 0.90 SLC6A4 (0.62) SLC6A2SLC6A3SLC6A4TSHRCA12
SCHEMBL4006943 0.81 SLC6A2 (0.47) SLC6A2SLC6A3SLC6A4LMNALTA4H
SCHEMBL15065610 0.81 SLC6A4 (0.49) SLC6A2SLC6A3SLC6A4KMT2AALDH1A1
SCHEMBL3996952 0.81 MAOB (0.47) SLC6A2SLC6A3SLC6A4ALDH1A1
SCHEMBL871941 0.78 SLC6A3 (0.53) SLC6A2SLC6A3SLC6A4TSHRALDH1A1
SCHEMBL8606048 0.78 SLC6A3 (0.53) SLC6A2SLC6A3SLC6A4TSHRALDH1A1
SCHEMBL871578 0.78 SLC6A3 (0.53) SLC6A2SLC6A3SLC6A4
SCHEMBL8040636 0.78 SLC6A3 (0.53) SLC6A2SLC6A3SLC6A4TSHRALDH1A1
SCHEMBL15065557 0.77 SLC6A2 (0.68) SLC6A2SLC6A3SLC6A4MEN1KMT2A
Hydrochloric Acid SCHEMBL5313076 0.77 SLC6A3 (0.51) SLC6A2SLC6A3SLC6A4TSHRALDH1A1

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
WO-2012003501-A2 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING CYCLOALKYLMETHYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS, INC. (US) 2012-01-05 WO disclosed