SCHEMBL13166164

SCHEMBL13166164

CC(O)c1ccc(Oc2ccc(CNC(=O)C3(NC(=O)CN(C)C)CCOC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 1/20 0.32
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
OPRM1 P35372 1/20 0.32
CCR2 P41597 4/20 0.31
SCN9A Q15858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
MMP1 P03956 2/20 0.31
MMP13 P45452 2/20 0.31
MAPT P10636 1/20 0.31
OPRL1 P41146 1/20 0.30
ROCK2 O75116 1/20 0.30

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
SCHEMBL13165766 0.95 MAPT (0.33) UBE2MDCUN1D1OPRM1CCR2SCN9A
SCHEMBL13166165 0.92 UBE2M (0.34) DDR2UBE2MDCUN1D1CCR2SCN9A
SCHEMBL13165760 0.91 CACNA1B (0.33) DDR2UBE2MDCUN1D1OPRM1CCR2
SCHEMBL13165720 0.91 CARM1 (0.33) DDR2UBE2MDCUN1D1CCR2SCN9A
SCHEMBL13165761 0.91 BDKRB1 (0.33) DDR2UBE2MDCUN1D1CCR2SCN9A
SCHEMBL13165722 0.91 SCN9A (0.35) DDR2UBE2MDCUN1D1CCR2SCN9A
SCHEMBL13165793 0.90 MAPT (0.33) DDR2UBE2MDCUN1D1CCR2SCN9A
SCHEMBL13165643 0.89 L3MBTL1 (0.38) L3MBTL1MEN1ALDH1A1GAAKMT2A
SCHEMBL13165764 0.89 UBE2M (0.33) DDR2UBE2MDCUN1D1OPRL1
SCHEMBL13165768 0.89 OPRL1 (0.36) DDR2UBE2MDCUN1D1CCR2OPRL1

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
WO-2010097374-A1 COMPOUNDS FOR USE AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed