SCHEMBL5325814

SCHEMBL5325814

CN(Cc1ccccc1)C(CCCO)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 6/20 0.42
SIGMAR1 Q99720 6/20 0.42
UTS2R Q9UKP6 6/20 0.41
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRK1 P41145 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
FAAH O00519 3/20 0.37
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 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
SCHEMBL4739767 0.92 UTS2R (0.42) TMEM97SIGMAR1UTS2RADRA2BADRA2C
SCHEMBL5323549 0.86 GAA (0.43) TMEM97SIGMAR1ADRA2BADRA2CSLC6A2
SCHEMBL5319055 0.84 NPSR1 (0.47) TMEM97SIGMAR1UTS2RCNR1CNR2
SCHEMBL5164752 0.81 HTR2A (0.47) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL2279691 0.79 AOC3 (0.42) UTS2RSLC6A2SLC6A4
SCHEMBL5321171 0.78 HTT (0.44) TMEM97SIGMAR1UTS2RPOLBRXFP1
SCHEMBL13452589 0.74 ADRA2B (0.50) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL14017766 0.74 ADRA2B (0.50) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL20400048 0.72 KDM4E (0.42) TMEM97SIGMAR1UTS2RCNR2
SCHEMBL5321066 0.71 NPSR1 (0.39) TMEM97SIGMAR1SLC6A2SLC6A4

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-2007095756-A1 NOVEL CENTRAL-NERVOUS SYSTEM ACTING COMPOUNDS AND METHODS FOR THE TREATMENT OF CNS DISORDERS CLERA INC. (CA) 2007-08-30 WO disclosed