SCHEMBL15065902

SCHEMBL15065902

COCCNCCC(C)CC1(c2ccc(OC)c(OC)c2)CCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.51
SLC6A3 Q01959 7/20 0.51
SLC6A4 P31645 6/20 0.51
CASP1 P29466 2/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.45
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.39
LMNA P02545 2/20 0.38
G6PD P11413 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL15066405 0.93 SLC6A2 (0.54) SLC6A2SLC6A3SLC6A4CASP1GAA
SCHEMBL15066357 0.92 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4CASP1GAA
SCHEMBL15066388 0.90 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4CASP1GAA
SCHEMBL15066503 0.86 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4CASP1GAA
SCHEMBL15065883 0.85 SLC6A2 (0.52) SLC6A2SLC6A3SLC6A4CASP1GAA
SCHEMBL15066410 0.84 SLC6A3 (0.67) SLC6A2SLC6A3SLC6A4
SCHEMBL15066518 0.82 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4CASP1GAA
SCHEMBL15065659 0.81 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4CASP1GAA
SCHEMBL15065638 0.81 CASP1 (0.49) SLC6A2SLC6A3SLC6A4CASP1GAA
SCHEMBL15066384 0.80 SLC6A2 (0.69) SLC6A2SLC6A3SLC6A4MEN1KMT2A

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-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