SCHEMBL19418448

SCHEMBL19418448

O=C(NCc1ccc(Nc2ccc(F)cc2C(F)(F)F)cc1F)C1CCOC1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 3/20 0.45
MAPK8 P45983 2/20 0.45
MAPK14 Q16539 2/20 0.45
EPHX2 P34913 5/20 0.43
P2RX7 Q99572 10/20 0.43
CNR2 P34972 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
SCHEMBL13159815 1.00 MAPK10 (0.45) MAPK10MAPK8MAPK14EPHX2P2RX7
SCHEMBL14865443 0.91 EPHX2 (0.42) MAPK10MAPK8MAPK14EPHX2P2RX7
SCHEMBL19418459 0.91 EPHX2 (0.42) MAPK10MAPK8MAPK14EPHX2P2RX7
SCHEMBL19418574 0.90 EPHX2 (0.44) MAPK10MAPK8MAPK14EPHX2
SCHEMBL13159675 0.90 EPHX2 (0.44) MAPK10MAPK8MAPK14EPHX2
SCHEMBL13159687 0.88 MAPK10 (0.47) MAPK10MAPK8MAPK14EPHX2P2RX7
SCHEMBL19418435 0.88 MAPK10 (0.47) MAPK10MAPK8MAPK14EPHX2P2RX7
SCHEMBL13159674 0.85 MAPK10 (0.44) MAPK10MAPK8MAPK14EPHX2P2RX7
SCHEMBL13159817 0.84 MAPK10 (0.46) MAPK10MAPK8MAPK14EPHX2P2RX7
SCHEMBL13159682 0.83 EPHX2 (0.43) MAPK10MAPK8MAPK14EPHX2P2RX7

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-2539323-B3 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2017-10-04 EP disclosed