SCHEMBL7857012

SCHEMBL7857012

Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1Nc1cccc(OC2CCN(C(=O)OC(C)(C)C)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.51
MAPK14 Q16539 14/20 0.47
USP30 Q70CQ3 1/20 0.46
BRAF P15056 2/20 0.44
SMO Q99835 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
RAF1 P04049 1/20 0.43

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
SCHEMBL7856980 0.96 OPRK1 (0.54) OPRK1MAPK14USP30BRAFSMO
SCHEMBL2979241 0.94 OPRK1 (0.55) OPRK1MAPK14USP30BRAFSMO
SCHEMBL7806472 0.90 OPRK1 (0.51) OPRK1MAPK14USP30SMOGPR119
SCHEMBL2972096 0.89 OPRK1 (0.58) OPRK1MAPK14BRAFSMOGPR119
SCHEMBL6533594 0.89 OPRK1 (0.56) OPRK1MAPK14USP30BRAFSMO
SCHEMBL7840065 0.87 MAPK14 (0.59) MAPK14BRAFRAF1
SCHEMBL7804552 0.86 OPRK1 (0.54) OPRK1MAPK14USP30SMOGPR119
SCHEMBL6476766 0.84 OPRK1 (0.59) OPRK1MAPK14USP30BRAFSMO
SCHEMBL7853300 0.84 OPRK1 (0.56) OPRK1MAPK14BRAFSMO
SCHEMBL7809442 0.83 MAPK14 (0.52) OPRK1MAPK14USP30SMOGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102743-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2001-05-30 EP disclosed
WO-2000007980-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-02-17 WO disclosed