SCHEMBL14865294

SCHEMBL14865294

C[C@@]1(C(=O)NCc2ncc(Nc3ccccc3C(F)(F)F)cc2Cl)CCOC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 2/20 0.35
CNR2 P34972 3/20 0.34
MEN1 O00255 1/20 0.34
DHODH Q02127 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
PTGES O14684 1/20 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
SCHEMBL14865362 0.88 P2RX7 (0.37) P2RX7CNR2MAPK9MAPK10PTGES
SCHEMBL2805291 0.84 P2RX7 (0.39) P2RX7KMT2ACNR2MEN1
SCHEMBL14865374 0.83 CNR2 (0.39) P2RX7HTTCNR2
SCHEMBL2805217 0.83 P2RX7 (0.36) P2RX7HTTCNR2
SCHEMBL13159664 0.81 ALDH1A1 (0.39) P2RX7HTTKMT2AMEN1
SCHEMBL186187 0.81 TRPV1 (0.36) P2RX7HTTKMT2AMEN1
SCHEMBL14865331 0.81 ROCK2 (0.34) P2RX7HTTCNR2MAPK9MAPK10
SCHEMBL2808176 0.80 BDKRB1 (0.36) P2RX7HTTCNR2
SCHEMBL197308 0.80 BDKRB1 (0.36) P2RX7HTTCNR2
SCHEMBL13128961 0.79 CNR2 (0.40) P2RX7CNR2

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