SCHEMBL28014792

SCHEMBL28014792

NC(=O)c1ccc(C2CCCC2N2CCCC2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.40
AR P10275 3/20 0.38
GFER P55789 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
YWHAG P61981 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTT P42858 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
SCHEMBL28014793 1.00 SLC6A9 (0.40) SLC6A9ARGFERKDM4EMEN1
SCHEMBL28015407 0.81 HTR1A (0.36)
SCHEMBL28819152 0.79 HTR1A (0.41)
SCHEMBL28819153 0.79 HTR1A (0.41)
SCHEMBL1514789 0.78 NOS3 (0.41) KDM4EHSD17B10
SCHEMBL1514823 0.76 JAK2 (0.41) MEN1KMT2A
SCHEMBL28015404 0.74 HRH3 (0.53)
SCHEMBL1514880 0.72 SLC6A9 (0.34) SLC6A9
SCHEMBL28014778 0.71 NOS3 (0.36)
SCHEMBL28014777 0.71 NOS3 (0.36)

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
CN-102482203-B Carbocyclic GLYT1 receptor antagonists HOFFMANN LA ROCHE 2015-06-03 CN disclosed