SCHEMBL4602882

SCHEMBL4602882

C#CCOc1ccc(C(=O)NC2CCCC2)c(C)c1F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.44
CNR2 P34972 4/20 0.44
TAS1R3 Q7RTX0 4/20 0.44
TAS1R1 Q7RTX1 3/20 0.44
TAS1R2 Q8TE23 3/20 0.44
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SGMS2 Q8NHU3 1/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
ABHD12 Q8N2K0 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4603858 0.98 CNR1 (0.42) CNR1CNR2TAS1R3TAS1R1TAS1R2
SCHEMBL4603116 0.95 ALDH1A1 (0.42) CNR1CNR2TAS1R3TAS1R1TAS1R2
SCHEMBL4603506 0.87 HPGD (0.45) CNR1CNR2RAB9ANPC1ALDH1A1
SCHEMBL4602587 0.84 HPGD (0.42) CNR1CNR2RAB9ANPC1ALDH1A1
SCHEMBL4603249 0.82 HTR2A (0.41) CNR1CNR2TAS1R3TAS1R1TAS1R2
SCHEMBL4604866 0.81 ALDH1A1 (0.51) CNR1CNR2TAS1R3TAS1R1TAS1R2
SCHEMBL4602808 0.79 HPGD (0.44) CNR1CNR2RAB9AALDH1A1HPGD
SCHEMBL4604028 0.78 ALDH1A1 (0.48) CNR1CNR2RAB9AALDH1A1MEN1
SCHEMBL4604638 0.78 ALDH1A1 (0.46) CNR1CNR2RAB9AALDH1A1HPGD
SCHEMBL4604804 0.78 HTR2A (0.35) ALDH1A1

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