SCHEMBL7809441

SCHEMBL7809441

Cc1ccc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1NC(=O)c1cccc(OC2CCNCC2)c1.Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.77
SMO Q99835 4/20 0.74
OPRK1 P41145 1/20 0.47
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL7809434 0.93 MAPK14 (0.66) MAPK14SMOOPRK1
SCHEMBL6490264 0.88 MAPK14 (0.58) MAPK14SMOOPRK1CYP3A4CYP2C9
SCHEMBL6486278 0.86 MAPK14 (1.00) MAPK14SMO
SCHEMBL6476258 0.84 OPRK1 (0.62) MAPK14SMOOPRK1
SCHEMBL6476055 0.83 MAPK14 (0.67) MAPK14SMOOPRK1
SCHEMBL6476859 0.81 MAPK14 (0.55) MAPK14SMOOPRK1CYP3A4CYP2C9
SCHEMBL2970301 0.80 OPRK1 (0.61) MAPK14SMOOPRK1
SCHEMBL6484951 0.80 MAPK14 (0.60) MAPK14SMOOPRK1
SCHEMBL6476195 0.79 CSF1R (0.61) MAPK14OPRK1
SCHEMBL27559756 0.79 OPRK1 (0.53) MAPK14SMOOPRK1MAPK13MAPK12

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