SCHEMBL13166402

SCHEMBL13166402

CC(O)c1ccc(Oc2ccc(CNC(=O)C3(NC(=O)CC(F)(F)F)CCOCC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
OPRL1 P41146 1/20 0.33
CCR2 P41597 5/20 0.33
SCN9A Q15858 1/20 0.33
CARM1 Q86X55 2/20 0.33
PRMT6 Q96LA8 2/20 0.33
KMT2A Q03164 1/20 0.33
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
BDKRB1 P46663 2/20 0.31
POLB P06746 2/20 0.31
MMP1 P03956 2/20 0.31
MMP13 P45452 2/20 0.31
FFAR1 O14842 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP14 P50281 1/20 0.31

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
SCHEMBL13165761 0.95 BDKRB1 (0.33) MAPTOPRL1CCR2SCN9ACARM1
SCHEMBL13165776 0.93 OPRL1 (0.35) MAPTOPRL1CCR2SCN9ACARM1
SCHEMBL13165725 0.92 CARM1 (0.34) MAPTOPRL1CCR2SCN9ACARM1
SCHEMBL13165719 0.92 SCN9A (0.36) MAPTOPRL1CCR2SCN9ACARM1
SCHEMBL13165593 0.91 MAPT (0.35) MAPTOPRL1CCR2SCN9ACARM1
SCHEMBL13165766 0.91 MAPT (0.33) MAPTOPRL1CCR2SCN9ACARM1
SCHEMBL13166162 0.90 HPGD (0.34) MAPTOPRL1UBE2MDCUN1D1
SCHEMBL13166112 0.90 OPRL1 (0.38) OPRL1CCR2UBE2MDCUN1D1
SCHEMBL13165790 0.89 MAPT (0.34) MAPTOPRL1CCR2SCN9ACARM1
SCHEMBL13166420 0.88 MAPT (0.41) MAPTKMT2APOLBMMP1MMP13

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