SCHEMBL7322425

SCHEMBL7322425

CN(CCc1ccccc1)CC1CC1c1ccc(C2CCCCC2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.41
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
OPRM1 P35372 4/20 0.37
OPRD1 P41143 4/20 0.37
OPRK1 P41145 4/20 0.37
SIGMAR1 Q99720 4/20 0.37
SLC18A3 Q16572 1/20 0.36
TMEM97 Q5BJF2 2/20 0.34

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
SCHEMBL7319768 0.89 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3SIGMAR1TMEM97
SCHEMBL8329993 0.81 FFAR4 (0.37) SLC6A4SLC6A2SLC6A3SIGMAR1TMEM97
SCHEMBL7315921 0.79 APP (0.41) SLC6A4SLC6A3OPRM1OPRD1OPRK1
SCHEMBL7325407 0.79 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3SIGMAR1TMEM97
SCHEMBL7326195 0.78 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3SIGMAR1TMEM97
SCHEMBL27467452 0.78 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3OPRM1OPRD1
SCHEMBL7326207 0.77 SIGMAR1 (0.48) SIGMAR1SLC18A3
SCHEMBL7320711 0.77 DRD2 (0.40) SLC6A4SIGMAR1TMEM97
SCHEMBL27467451 0.76 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3SIGMAR1TMEM97
SCHEMBL7326142 0.75 CCR5 (0.47) SLC6A4SLC6A2SLC6A3

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
US-6235791-B1 USING CIS N-CYCLOHEXYL-N-ETHYL(3-(3-CHLORO-CYCLOHEXYLPHENYL)ALLYL)AMINE SANOFI-SYNTHELABO (FR) 2001-05-22 US disclosed
EP-0917464-A1 USE OF AMINES TO PRODUCE DRUGS FOR PREVENTING TUMOUR CELL PROLIFERATION SANOFI (FR) 1999-05-26 EP disclosed
WO-1998004251-A1 USE OF AMINES TO PRODUCE DRUGS FOR PREVENTING TUMOUR CELL PROLIFERATION SANOFI (FR) 1998-02-05 WO disclosed