SCHEMBL7044993

SCHEMBL7044993

CCn1c(C(=O)OC)nc(-c2ccc(C)cc2)c1-c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.40
FAAH O00519 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
FABP4 P15090 2/20 0.39
FABP5 Q01469 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL6553811 0.84 CYP19A1 (0.47) MEN1KMT2AKDM4ETDP1ALDH1A1
SCHEMBL7044616 0.76 CNR1 (0.66) CNR1
SCHEMBL6552035 0.76 CNR1 (0.56) CNR1
SCHEMBL6553446 0.75 AR (0.51) MEN1KMT2AFAAHTDP1ALDH1A1
SCHEMBL4075806 0.74 CNR1 (0.57) CNR1KDM4EFAAHALDH1A1MAPT
SCHEMBL7042641 0.74 DRD2 (0.53) CNR1ALDH1A1NPSR1
SCHEMBL7041801 0.69 CNR1 (0.56) CNR1
SCHEMBL4085407 0.68 CNR1 (0.66) CNR1MEN1KMT2AKDM4ELMNA
SCHEMBL4082543 0.68 CNR1 (0.64) CNR1KDM4ETDP1ALDH1A1LMNA
SCHEMBL4080145 0.68 CNR1 (0.52) CNR1KDM4EMAPT

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
WO-2003007887-A2 SUBSTITUTED IMIDAZOLES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-01-30 WO claimed
WO-2003007887-A2 SUBSTITUTED IMIDAZOLES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-01-30 WO disclosed