SCHEMBL15519375

SCHEMBL15519375

O=C(c1ccccc1-c1ncccn1)N(F)CCc1ccn(-c2ccc(F)cn2)n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.40
HCRTR1 O43613 14/20 0.40
HCRTR2 O43614 14/20 0.40
KDM5A P29375 2/20 0.37
KDM4C Q9H3R0 2/20 0.37
KDM5B Q9UGL1 2/20 0.37
KDM4A O75164 1/20 0.37
KDM2B Q8NHM5 1/20 0.33
MET P08581 1/20 0.33

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
SCHEMBL15518883 0.88 HCRTR1 (0.52) HCAR2HCRTR1HCRTR2
SCHEMBL15519023 0.82 HCAR2 (0.43) HCAR2HCRTR1HCRTR2KDM5AKDM4C
SCHEMBL15519415 0.81 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL15519638 0.79 HCRTR2 (0.49) HCRTR1HCRTR2
SCHEMBL15519855 0.78 HCRTR1 (0.41) HCRTR1HCRTR2KDM5AKDM4CKDM5B
SCHEMBL15521906 0.76 HCRTR1 (0.44) HCAR2HCRTR1HCRTR2KDM5AKDM4C
SCHEMBL15519480 0.76 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL15520474 0.74 HCRTR1 (0.50) HCAR2HCRTR1HCRTR2
SCHEMBL15519376 0.73 HCRTR1 (0.39) HCAR2HCRTR1HCRTR2KDM5AKDM4C
SCHEMBL15519475 0.73 HCRTR1 (0.61) HCRTR1HCRTR2

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-2708537-A1 HETEROAROMATIC RING DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2014-03-19 EP disclosed