SCHEMBL7041804

SCHEMBL7041804

CCOC(=O)c1nc(Cc2ccc(Cl)cc2Cl)c(Cc2ccc(Cl)cc2Cl)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.47
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
ALOX5 P09917 3/20 0.45
PTGES O14684 1/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7044617 0.86 GABRA2 (0.47) ALOX15PDE3BPDE3AALOX5PTGES
SCHEMBL7045705 0.81 GABRA2 (0.46) ALOX15ALOX5MAPTGAANPSR1
SCHEMBL7044707 0.79 ALOX5 (0.52) ALOX15PDE3BPDE3AALOX5PTGES
SCHEMBL1918799 0.76 MAPT (0.53) PDE3BPDE3AMAPTKDM4ECYP3A4
SCHEMBL6553466 0.74 ALOX5 (0.51) ALOX15ALOX5PTGESMAPTKDM4E
SCHEMBL27858959 0.73 NPSR1 (0.48) ALOX15PDE3BPDE3AKDM4ECYP3A4
SCHEMBL7044205 0.73 CNR1 (0.52) MAPTALDH1A1LMNAHTT
SCHEMBL7042633 0.73 CNR1 (0.52)
SCHEMBL14109406 0.72 MAPT (0.57) PDE3BPDE3AMAPTKDM4EGAA
SCHEMBL18796691 0.72 PDE3B (0.70) ALOX15PDE3BPDE3AMAPTKDM4E

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