SCHEMBL13166165

SCHEMBL13166165

CCC(=O)NC1(C(=O)NCc2ccc(Oc3ccc(C(C)O)cc3C(F)(F)F)cc2)CCOC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
SCN9A Q15858 1/20 0.34
DDR2 Q16832 1/20 0.33
OPRL1 P41146 1/20 0.33
CCR2 P41597 6/20 0.32
FFAR1 O14842 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
TP53 P04637 1/20 0.32
MMP1 P03956 2/20 0.32
MMP13 P45452 2/20 0.32
MAPT P10636 2/20 0.32
EPHX2 P34913 1/20 0.31
POLB P06746 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
SCHEMBL13165776 0.95 OPRL1 (0.35) UBE2MDCUN1D1SCN9AOPRL1CCR2
SCHEMBL13165761 0.93 BDKRB1 (0.33) UBE2MDCUN1D1SCN9ADDR2OPRL1
SCHEMBL13165720 0.93 CARM1 (0.33) UBE2MDCUN1D1SCN9ADDR2OPRL1
SCHEMBL13165722 0.93 SCN9A (0.35) UBE2MDCUN1D1SCN9ADDR2OPRL1
SCHEMBL13165764 0.92 UBE2M (0.33) UBE2MDCUN1D1DDR2OPRL1EPHX2
SCHEMBL13165793 0.92 MAPT (0.33) UBE2MDCUN1D1SCN9ADDR2OPRL1
SCHEMBL13166164 0.92 DDR2 (0.32) UBE2MDCUN1D1SCN9ADDR2OPRL1
SCHEMBL13165768 0.91 OPRL1 (0.36) UBE2MDCUN1D1DDR2OPRL1CCR2
SCHEMBL13165785 0.91 OGA (0.35) UBE2MDCUN1D1DDR2OPRL1CCR2
SCHEMBL13165767 0.90 CARM1 (0.32) UBE2MDCUN1D1SCN9ADDR2CCR2

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