SCHEMBL6571705

SCHEMBL6571705

Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1-c1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.51
RAF1 P04049 15/20 0.47
BRAF P15056 15/20 0.47
MAPK14 Q16539 4/20 0.46
SMO Q99835 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
SCHEMBL6570490 0.88 RAF1 (0.47) OPRK1RAF1BRAFMAPK14
SCHEMBL6574087 0.86 RAF1 (0.44) OPRK1RAF1BRAFMAPK14
SCHEMBL6476766 0.85 OPRK1 (0.59) OPRK1RAF1BRAFMAPK14SMO
SCHEMBL6476511 0.85 MAPK14 (0.62) OPRK1RAF1BRAFMAPK14SMO
SCHEMBL6572676 0.84 RAF1 (0.46) OPRK1RAF1BRAFMAPK14
SCHEMBL2972096 0.82 OPRK1 (0.58) OPRK1RAF1BRAFMAPK14SMO
SCHEMBL6533594 0.81 OPRK1 (0.56) OPRK1RAF1BRAFMAPK14SMO
SCHEMBL6574089 0.81 OPRK1 (0.44) OPRK1RAF1BRAF
SCHEMBL6572660 0.80 BRAF (0.48) RAF1BRAFMAPK14
SCHEMBL7804552 0.80 OPRK1 (0.54) OPRK1MAPK14SMO

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
EP-1077931-B1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 2004-11-17 EP disclosed