SCHEMBL7809442

SCHEMBL7809442

Cc1ccc(Nc2cccc(N3CCOCC3)c2)cc1NC(=O)c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.52
SMO Q99835 1/20 0.50
GPR119 Q8TDV5 3/20 0.45
OPRK1 P41145 1/20 0.45
USP30 Q70CQ3 1/20 0.44
TGFBR1 P36897 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7804552 0.93 OPRK1 (0.54) MAPK14SMOGPR119OPRK1USP30
SCHEMBL6476511 0.93 MAPK14 (0.62) MAPK14SMOGPR119OPRK1
SCHEMBL7806485 0.89 MAPT (0.50) MAPK14SMOTGFBR1MEN1KMT2A
SCHEMBL7806472 0.89 OPRK1 (0.51) MAPK14SMOGPR119OPRK1USP30
SCHEMBL2972096 0.88 OPRK1 (0.58) MAPK14SMOGPR119OPRK1
SCHEMBL7856980 0.88 OPRK1 (0.54) MAPK14SMOGPR119OPRK1USP30
SCHEMBL6476766 0.87 OPRK1 (0.59) MAPK14SMOGPR119OPRK1USP30
SCHEMBL7805559 0.86 OPRK1 (0.46) MAPK14SMOOPRK1TGFBR1
SCHEMBL2979241 0.84 OPRK1 (0.55) MAPK14SMOOPRK1USP30
SCHEMBL7857012 0.83 OPRK1 (0.51) MAPK14SMOGPR119OPRK1USP30

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-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