SCHEMBL764456

SCHEMBL764456

O=C(NC1(C(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)cc2)CC1)c1nccs1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.45
BDKRB1 P46663 2/20 0.39
MAPK14 Q16539 3/20 0.38
RBP4 P02753 1/20 0.36
LPAR1 Q92633 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
SCN3A Q9NY46 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
POLB P06746 1/20 0.36
LTA4H P09960 1/20 0.36
PTGS2 P35354 1/20 0.36
NR3C1 P04150 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL764475 0.88 P2RX7 (0.40) SCDBDKRB1SCN3APOLBALDH1A1
SCHEMBL764440 0.85 SCD (0.37) SCDBDKRB1SCN3A
SCHEMBL10121269 0.81 BDKRB1 (0.56) SCDBDKRB1MAPK14LPAR1LPAR5
SCHEMBL12238933 0.75 P2RX7 (0.44) BDKRB1POLBALDH1A1
SCHEMBL12238931 0.73 EPHX2 (0.53) BDKRB1MAPK14
SCHEMBL765545 0.73 DDR2 (0.44) BDKRB1MAPK14PTGS2
SCHEMBL765827 0.73 BDKRB1 (0.39) BDKRB1MAPK14ALDH1A1HPGD
SCHEMBL13191708 0.73 BDKRB1 (0.48) SCDBDKRB1LPAR1LPAR5
SCHEMBL756608 0.72 LMNA (0.47) BDKRB1POLBHPGD
SCHEMBL12262769 0.72 BDKRB1 (0.58) BDKRB1MAPK14HTT

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
EP-2188254-B1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-03-21 EP disclosed