SCHEMBL4810311

SCHEMBL4810311

Fc1ccc(COc2ncc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n2)cc1F

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 14/20 0.60
CNR2 P34972 3/20 0.50
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 1/20 0.38
HIF1A Q16665 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL4808602 0.90 CNR1 (0.56) CNR1CNR2
SCHEMBL4807959 0.90 CNR1 (0.64) CNR1CNR2
SCHEMBL4807874 0.87 CNR1 (0.47) CNR1ALDH1A1CYP1A2USP2LMNA
SCHEMBL4806724 0.86 CNR1 (0.55) CNR1CNR2
SCHEMBL4807904 0.86 CNR1 (0.49) CNR1CNR2ALDH1A1CYP1A2USP2
SCHEMBL14107189 0.83 CNR1 (0.49) CNR1CNR2ALDH1A1CYP1A2USP2
SCHEMBL4807899 0.83 CNR1 (0.47) CNR1CNR2ALDH1A1CYP1A2USP2
SCHEMBL4809154 0.83 CNR1 (0.45) CNR1CNR2ALDH1A1CYP1A2USP2
SCHEMBL4806722 0.83 CNR1 (0.52) CNR1CNR2
SCHEMBL4807802 0.83 CNR1 (0.55) CNR1CNR2

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
US-7405221-B2 Substituted pyrimidines MERCK & CO., INC. (US) 2008-07-29 US disclosed