SCHEMBL14865446

SCHEMBL14865446

CC(NC(=O)C1(NC(=O)c2cncnc2)CC1)c1ccc(Nc2ccc(O)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 8/20 0.68
CNR1 P21554 9/20 0.45
MAPKAPK2 P49137 1/20 0.36
FPR2 P25090 1/20 0.36
ECE1 P42892 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
SCHEMBL764514 0.88 BDKRB1 (0.67) BDKRB1CNR1
SCHEMBL2808158 0.86 BDKRB1 (0.61) BDKRB1CNR1
SCHEMBL3652769 0.83 BDKRB1 (0.74) BDKRB1CNR1
SCHEMBL3649078 0.83 BDKRB1 (0.74) BDKRB1CNR1
SCHEMBL3798079 0.81 BDKRB1 (0.59) BDKRB1CNR1
SCHEMBL3798069 0.81 BDKRB1 (0.59) BDKRB1CNR1
SCHEMBL765554 0.80 BDKRB1 (0.67) BDKRB1CNR1
SCHEMBL13908489 0.79 BDKRB1 (1.00) BDKRB1CNR1
SCHEMBL13908646 0.78 BDKRB1 (1.00) BDKRB1CNR1
SCHEMBL765602 0.78 BDKRB1 (0.63) BDKRB1CNR1

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-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed