SCHEMBL765177

SCHEMBL765177

NOc1ccc(Oc2ccc(CN(N)C(=O)C3(NC(=O)c4cncnc4)CC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 5/20 0.35
NR3C1 P04150 2/20 0.35
LPAR1 Q92633 1/20 0.33
LPAR5 Q9H1C0 1/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
SUCNR1 Q9BXA5 1/20 0.33
CNR1 P21554 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
SCN9A Q15858 3/20 0.30
ABL1 P00519 1/20 0.30
BCR P11274 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 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
SCHEMBL764482 0.84 BDKRB1 (0.38) BDKRB1KDM4EMAPT
SCHEMBL13904296 0.78 BDKRB1 (0.49) BDKRB1SUCNR1CNR1
SCHEMBL764412 0.78 BDKRB1 (0.53) BDKRB1
SCHEMBL13904097 0.76 BDKRB1 (0.49) BDKRB1NR3C1CNR1
SCHEMBL764431 0.76 BDKRB1 (0.49) BDKRB1LPAR1LPAR5CNR1
SCHEMBL10121503 0.76 BDKRB1 (0.51) BDKRB1KDM4EMAPT
SCHEMBL2549218 0.76 BDKRB1 (0.49) BDKRB1NR3C1CNR1
SCHEMBL765154 0.76 BDKRB1 (0.49) BDKRB1CNR1
SCHEMBL764466 0.76 BDKRB1 (0.51) BDKRB1CNR1MAPT
SCHEMBL764445 0.76 BDKRB1 (0.47) BDKRB1SCN9A

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