SCHEMBL28620540

SCHEMBL28620540

CC(NC(=O)c1ccc2c(-c3ccc(C(F)(F)F)cc3)cccc2c1)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
SCN9A Q15858 7/20 0.44
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
FPR2 P25090 1/20 0.41
SCN5A Q14524 3/20 0.41
LIMK1 P53667 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
KLRK1 P26718 2/20 0.40
MICA Q29983 2/20 0.40
RAET1L Q5VY80 2/20 0.40
HPGDS O60760 1/20 0.39
F2 P00734 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
SCHEMBL23796055 1.00 NPSR1 (0.44) NPSR1SCN9AHDAC8HDAC6FPR2
SCHEMBL23795946 1.00 NPSR1 (0.44) NPSR1SCN9AHDAC8HDAC6FPR2
SCHEMBL23795905 0.89 NPSR1 (0.57) NPSR1SCN9AHDAC8HDAC6SCN5A
SCHEMBL23796204 0.86 NPC1 (0.45) NPSR1SCN9AHDAC8HDAC6SCN5A
SCHEMBL23796081 0.86 NPC1 (0.45) NPSR1SCN9AHDAC8HDAC6SCN5A
SCHEMBL23796082 0.86 NPC1 (0.45) NPSR1SCN9AHDAC8HDAC6SCN5A
SCHEMBL23796332 0.86 HDAC6 (0.52) NPSR1SCN9AHDAC8HDAC6SCN5A
SCHEMBL23796144 0.86 HDAC6 (0.52) NPSR1SCN9AHDAC8HDAC6SCN5A
SCHEMBL23796142 0.86 HDAC6 (0.52) NPSR1SCN9AHDAC8HDAC6SCN5A
SCHEMBL23796070 0.85 NPSR1 (0.44) NPSR1SCN9AHDAC8HDAC6SCN5A

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-113302175-A Bicyclic compounds 维瓦斯治疗公司 2021-08-24 CN disclosed