SCHEMBL7230615

SCHEMBL7230615

CN(CCNC(=O)Cc1ccc(OCc2ccc(-c3ccccc3)cc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
ALOX5 P09917 3/20 0.46
CHRM4 P08173 1/20 0.46
BCL2 P10415 2/20 0.45
GPR88 Q9GZN0 1/20 0.45
FFAR1 O14842 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.44
PTPN1 P18031 1/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PPARG P37231 1/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP14 P50281 1/20 0.41
ADAM17 P78536 1/20 0.41
PPARA Q07869 1/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41

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
SCHEMBL7231853 0.87 LTB4R (0.53) LTB4RLTB4R2ALOX5CHRM4FFAR1
SCHEMBL6512669 0.85 ALOX5 (0.55) LTB4RLTB4R2ALOX5CHRM4BCL2
SCHEMBL7240480 0.84 BCL2 (0.53) ALOX5CHRM4BCL2FFAR1ADAMTS5
SCHEMBL21859127 0.79 CHRM4 (0.55) LTB4RLTB4R2ALOX5CHRM4LMNA
SCHEMBL3014165 0.78 LTB4R (0.67) LTB4RLTB4R2ALOX5FFAR1PPARG
SCHEMBL7241154 0.78 FFAR1 (0.56) ALOX5CHRM4FFAR1ADAMTS5LMNA
SCHEMBL5582719 0.77 MEN1 (0.56) ALOX5BCL2PTPN1LMNANPC1
SCHEMBL7240415 0.76 FFAR1 (0.51) ALOX5CHRM4FFAR1ADAMTS5LMNA
Hydrochloric Acid SCHEMBL7233188 0.76 FFAR1 (0.53) ALOX5CHRM4FFAR1ADAMTS5LMNA
SCHEMBL4798737 0.76 ALOX5 (0.58) LTB4RLTB4R2ALOX5PPARGPPARA

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
US-6586475-B1 5-chloro-N-(2-N,N-diethylamino)ethyl)-2- methoxy-4-(1-naphthoylamino)benzamide and prodrugs, used for prevention of neurodegenarative diseases such as Alzheimer's disease TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-07-01 US disclosed
EP-1132376-A1 BETA-AMYLOID PROTEIN PRODUCTION/SECRETION INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2001-09-12 EP disclosed