SCHEMBL14865456

SCHEMBL14865456

Cc1ccc(Nc2ccc(CNC(=O)C3(NC(=O)c4cncnc4)CC3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 5/20 0.59
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPC1 O15118 2/20 0.44
NAMPT P43490 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
HDAC1 Q13547 1/20 0.40
ALPL P05186 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FPR2 P25090 1/20 0.39

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
SCHEMBL2805903 0.90 BDKRB1 (0.63) BDKRB1CYP3A4CYP2C9CYP2C19NAMPT
SCHEMBL14865428 0.89 BDKRB1 (0.53) BDKRB1CYP3A4CYP2C9CYP2C19NAMPT
SCHEMBL2805104 0.89 BDKRB1 (0.56) BDKRB1CYP3A4CYP2C9CYP2C19NAMPT
SCHEMBL13128626 0.88 BDKRB1 (0.61) BDKRB1CYP3A4CYP2C9CYP2C19NPC1
SCHEMBL764432 0.88 BDKRB1 (0.61) BDKRB1CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL2548562 0.83 BDKRB1 (0.62) BDKRB1CYP3A4CYP2C9CYP2C19NAMPT
SCHEMBL2811075 0.82 BDKRB1 (0.57) BDKRB1NAMPTHDAC1MEN1KMT2A
SCHEMBL13128624 0.82 BDKRB1 (0.54) BDKRB1CYP3A4CYP2C9CYP2C19NAMPT
SCHEMBL2807548 0.81 BDKRB1 (0.53) BDKRB1CYP3A4CYP2C9CYP2C19NAMPT
SCHEMBL2836906 0.80 BDKRB1 (0.54) BDKRB1CYP3A4MEN1KMT2A

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