SCHEMBL756132

SCHEMBL756132

O=C(NC1(C(=O)NCc2ccc(Oc3ccc(Cl)cc3F)c(F)c2)CC1)Oc1cncnc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.39
MET P08581 3/20 0.38
CARM1 Q86X55 2/20 0.37
PRMT6 Q96LA8 2/20 0.37
GRM5 P41594 1/20 0.37
METAP2 P50579 1/20 0.36
TRPV1 Q8NER1 2/20 0.36
FAAH O00519 1/20 0.36
PPARD Q03181 1/20 0.35
PTGER4 P35408 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34
CNR1 P21554 1/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34

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
SCHEMBL765522 0.89 BDKRB1 (0.50) BDKRB1METCARM1PRMT6METAP2
Hydrochloric Acid SCHEMBL2546804 0.88 BDKRB1 (0.49) BDKRB1METCARM1PRMT6METAP2
SCHEMBL754425 0.86 PPARD (0.44) BDKRB1CARM1PRMT6TRPV1FAAH
SCHEMBL764468 0.85 BDKRB1 (0.48) BDKRB1METCARM1PRMT6SLC6A2
SCHEMBL10121264 0.84 BDKRB1 (0.49) BDKRB1METAP2PPARDPTGER4CNR1
SCHEMBL765524 0.84 BDKRB1 (0.51) BDKRB1METPTGER4CNR1
SCHEMBL765808 0.79 BDKRB1 (0.48) BDKRB1METCARM1PRMT6METAP2
SCHEMBL757026 0.79 BDKRB1 (0.45) BDKRB1PTGER4CNR1
SCHEMBL10121221 0.79 BDKRB1 (0.47) BDKRB1METPTGER4SLC6A4KCNH2
SCHEMBL12239074 0.78 BDKRB1 (0.49) BDKRB1METCARM1PRMT6CNR1

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