SCHEMBL14155488

SCHEMBL14155488

COc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C2CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.67
CNR2 P34972 5/20 0.66
ABCC4 O15439 1/20 0.66
MLNR O43193 1/20 0.66
ABCB11 O95342 1/20 0.66
CHRM2 P08172 1/20 0.66
ADORA3 P0DMS8 1/20 0.66
CYP2C9 P11712 1/20 0.66
ADRA2B P18089 1/20 0.66
ADRA2C P18825 1/20 0.66
DRD1 P21728 1/20 0.66
TBXA2R P21731 1/20 0.66
SLC6A2 P23975 1/20 0.66
HRH2 P25021 1/20 0.66
HTR2A P28223 1/20 0.66
AGTR1 P30556 1/20 0.66
CCKAR P32238 1/20 0.66
CCKBR P32239 1/20 0.66
MC4R P32245 1/20 0.66
ABCC1 P33527 1/20 0.66

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
SCHEMBL972417 0.92 CNR1 (0.77) CNR1CNR2ABCC4MLNRABCB11
SCHEMBL14155469 0.89 CNR1 (0.84) CNR1CNR2ABCC4MLNRABCB11
SCHEMBL14155489 0.88 CNR1 (0.80) CNR1CNR2ABCC4MLNRABCB11
SCHEMBL14155455 0.88 CNR1 (0.82) CNR1CNR2ABCC4MLNRABCB11
SCHEMBL14155457 0.86 CNR1 (0.83) CNR1CNR2ABCC4MLNRABCB11
SCHEMBL14155471 0.86 CNR1 (0.83) CNR1CNR2ABCC4MLNRABCB11
SCHEMBL14155483 0.85 CNR1 (0.81) CNR1CNR2ABCC4MLNRABCB11
SCHEMBL970896 0.83 CNR1 (0.64) CNR1CNR2ABCC4MLNRABCB11
SCHEMBL974370 0.83 CNR2 (0.78) CNR1CNR2ABCC4MLNRABCB11
SCHEMBL971257 0.83 CNR1 (0.71) CNR1CNR2ABCC4MLNRABCB11

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-2008075118-A1 NOVEL CB1 ANTAGONISTS AND THEIR PREPARATION RICHTER GEDEON NYRT. (HU) 2008-06-26 WO disclosed