SCHEMBL7807945

SCHEMBL7807945

Cc1ccc(Nc2cccc(N3CCOCC3)c2)cc1NC(=O)c1cccc(OC2CCNCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.56
MAPK14 Q16539 15/20 0.54
SMO Q99835 1/20 0.51
LCK P06239 1/20 0.48
MAP2K1 Q02750 1/20 0.48
NTRK1 P04629 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SETD2 Q9BYW2 1/20 0.44

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
SCHEMBL6476258 0.94 OPRK1 (0.62) OPRK1MAPK14SMOLCKMAP2K1
SCHEMBL2970301 0.93 OPRK1 (0.61) OPRK1MAPK14SMOLCKMAP2K1
SCHEMBL6484951 0.89 MAPK14 (0.60) OPRK1MAPK14SMOLCKMAP2K1
SCHEMBL7853300 0.89 OPRK1 (0.56) OPRK1MAPK14SMOLCKMAP2K1
SCHEMBL7809447 0.88 OPRK1 (0.56) OPRK1MAPK14SMONTRK1
SCHEMBL2971456 0.88 OPRK1 (0.57) OPRK1MAPK14SMOLCKMAP2K1
SCHEMBL6476055 0.88 MAPK14 (0.67) OPRK1MAPK14SMOLCKMAP2K1
SCHEMBL7807962 0.88 MAPT (0.54) MAPK14SMOLCKMAP2K1ALDH1A1
SCHEMBL7609472 0.86 OPRK1 (0.69) OPRK1MAPK14LCKMAP2K1NTRK1
SCHEMBL7804552 0.86 OPRK1 (0.54) OPRK1MAPK14SMONTRK1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077931-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca AB (SE) 2001-02-28 EP claimed
WO-1999059959-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 1999-11-25 WO claimed
EP-1077931-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca AB (SE) 2001-02-28 EP disclosed
WO-1999059959-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 1999-11-25 WO disclosed