SCHEMBL7306430

SCHEMBL7306430

CN(CCC1Cc2ccccc2C1O)CC1CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 4/20 0.38
HTR2A P28223 4/20 0.37
HRH1 P35367 3/20 0.37
BLM P54132 1/20 0.36
OPRM1 P35372 1/20 0.36
TSHR P16473 1/20 0.36
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
CDK8 P49336 1/20 0.35
CDK5 Q00535 1/20 0.35
LTA4H P09960 1/20 0.34
SLC6A3 Q01959 2/20 0.33
SIGMAR1 Q99720 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
SCHEMBL7311184 0.88 BLM (0.41) BLMTSHRSIGMAR1
SCHEMBL7305028 0.85 BLM (0.51) BLMTSHR
SCHEMBL6268863 0.84 HTR2A (0.53) SLC6A2SLC6A4HTR2AHRH1BLM
SCHEMBL9334169 0.84 HTR2A (0.53) SLC6A2SLC6A4HTR2AHRH1BLM
SCHEMBL8159949 0.84 HTR2A (0.53) SLC6A2SLC6A4HTR2AHRH1BLM
SCHEMBL7314540 0.83 BLM (0.42) BLMTSHR
SCHEMBL7304998 0.82 BCHE (0.45) BLMTSHR
SCHEMBL7311330 0.81 BLM (0.49) BLMTSHR
SCHEMBL7312242 0.79 LTB4R (0.51) SLC6A2SLC6A4HTR2AHRH1HTR2C
SCHEMBL8152258 0.77 SLC6A2 (0.54) SLC6A2SLC6A4HTR2AHRH1BLM

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-0581677-B1 Cycloalkylalkylamines which are sigma-receptor ligands, process for preparing them and their application in therapy JOUVEINAL INST RECH (FR) 1997-01-08 EP disclosed
US-5326784-A Psychological and gastrointestinal disorders INSTITUT DE RECHERCHE JOUVEINAL (FR) 1994-07-05 US disclosed
EP-0581677-A1 Cycloalkylalkylamines which are sigma-receptor ligands, process for preparing them and their application in therapy INSTITUT DE RECHERCHE JOUVEINAL (I.R.J) (FR) 1994-02-02 EP disclosed