SCHEMBL4602587

SCHEMBL4602587

C#CCOc1ccc(C(=O)NC2CCC2)c(CC)c1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
HTR2A P28223 1/20 0.40
CNR1 P21554 5/20 0.39
CNR2 P34972 5/20 0.39
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SGMS2 Q8NHU3 1/20 0.38
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
USP2 O75604 1/20 0.36
RAB9A P51151 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM1A O60341 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL4603506 0.98 HPGD (0.45) HPGDHTR2ACNR1CNR2ALDH1A1
SCHEMBL4603249 0.96 HTR2A (0.41) HPGDHTR2ACNR1CNR2ALDH1A1
SCHEMBL4605222 0.88 HPGD (0.41) HPGDHTR2ACNR1CNR2ALDH1A1
SCHEMBL4603858 0.87 CNR1 (0.42) HPGDHTR2ACNR1CNR2ALDH1A1
SCHEMBL4602808 0.86 HPGD (0.44) HPGDCNR1CNR2ALDH1A1RAB9A
SCHEMBL4604638 0.85 ALDH1A1 (0.46) HPGDCNR1CNR2ALDH1A1RAB9A
SCHEMBL4602882 0.84 CNR1 (0.44) HPGDCNR1CNR2ALDH1A1MEN1
SCHEMBL4604358 0.83 TAS1R3 (0.41) HPGDHTR2ACNR1CNR2ALDH1A1
SCHEMBL4603116 0.82 ALDH1A1 (0.42) HPGDHTR2ACNR1CNR2ALDH1A1
SCHEMBL4603892 0.82 HPGD (0.41) HPGDCNR1CNR2ALDH1A1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940780-A1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL CO., LTD. (JP) 2008-07-09 EP disclosed
WO-2007049728-A1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-03 WO disclosed