SCHEMBL14833296

SCHEMBL14833296

O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(C(F)(F)F)cc2)c1CN(N1CCCC1)[SH](=O)=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 14/20 0.63
CNR2 P34972 9/20 0.63
CYP2C9 P11712 2/20 0.60
GPR55 Q9Y2T6 2/20 0.60
ABCC4 O15439 1/20 0.60
MLNR O43193 1/20 0.60
ABCB11 O95342 1/20 0.60
CHRM2 P08172 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
ADRA2B P18089 1/20 0.60
ADRA2C P18825 1/20 0.60
DRD1 P21728 1/20 0.60
TBXA2R P21731 1/20 0.60
SLC6A2 P23975 1/20 0.60
HRH2 P25021 1/20 0.60
HTR2A P28223 1/20 0.60
AGTR1 P30556 1/20 0.60
CCKAR P32238 1/20 0.60
CCKBR P32239 1/20 0.60
MC4R P32245 1/20 0.60

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
SCHEMBL14833097 0.93 CNR1 (0.69) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL14833038 0.93 CNR1 (0.69) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL14815929 0.89 CNR1 (0.64) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL14833073 0.88 CNR1 (0.64) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL14833107 0.85 CNR1 (0.56) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL14833295 0.84 CNR1 (0.64) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL14826972 0.84 CNR1 (0.64) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL14833155 0.82 CNR1 (0.77) CNR1CNR2
SCHEMBL14816212 0.82 CNR1 (0.60) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL14815801 0.82 CNR1 (0.60) CNR1CNR2CYP2C9GPR55ABCC4

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-2632919-A2 PYRAZOLE COMPOUNDS National Health Research Institutes (TW) 2013-09-04 EP disclosed
WO-2013048989-A2 PYRAZOLE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2013-04-04 WO disclosed