SCHEMBL9684230

SCHEMBL9684230

C[C@@H](N)CCc1ccc(C(N)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.55
PLA2G10 O15496 1/20 0.47
PLA2G2A P14555 1/20 0.47
PARP10 Q53GL7 5/20 0.46
HSD17B10 Q99714 1/20 0.44
F2 P00734 2/20 0.43
F10 P00742 2/20 0.43
PRSS1 P07477 1/20 0.43
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
PARP4 Q9UKK3 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
CYP17A1 P05093 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
SCHEMBL9787159 1.00 DPP4 (0.55) DPP4PLA2G10PLA2G2APARP10HSD17B10
SCHEMBL5831360 1.00 DPP4 (0.55) DPP4PLA2G10PLA2G2APARP10HSD17B10
Hydrochloric Acid SCHEMBL11467261 0.98 DPP4 (0.54) DPP4PLA2G10PLA2G2APARP10HSD17B10
Hydrochloric Acid SCHEMBL10561063 0.98 DPP4 (0.54) DPP4PLA2G10PLA2G2APARP10HSD17B10
SCHEMBL8293310 0.87 DPP4 (0.56) DPP4PLA2G10PLA2G2APARP10HSD17B10
Ammonia Solution, Strong SCHEMBL11119550 0.85 DPP4 (0.55) DPP4PLA2G10PLA2G2APARP10HSD17B10
SCHEMBL825507 0.85 ALDH1A1 (0.52) DPP4MEN1HTTKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL825805 0.84 ALDH1A1 (0.50) DPP4MEN1HTTKMT2ASMN1; SMN2
SCHEMBL9392575 0.81 TAAR1 (0.59) PLA2G10PLA2G2A
SCHEMBL6764390 0.81 TAAR1 (0.59) PLA2G10PLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5166218-A Antilipemic agents or antiglycemic agents HOFFMANN-LA ROCHE INC. (US) 1992-11-24 US disclosed
US-5064863-A Catabolic activity, obesity, diabetes HOFFMANN-LA ROCHE INC. (US) 1991-11-12 US disclosed
EP-0254856-B1 PYRIDINETHANOL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1991-09-04 EP disclosed
US-4988714-A Drugs for treatment of obesity and diabetics, increases protein breakdown, for fattening animals HOFFMANN-LA ROCHE INC. (US) 1991-01-29 US disclosed
CN-1005711-B Preparation method of phenoxypropanolamine compounds 弗·哈夫曼-拉罗彻公司 1989-11-08 CN disclosed
US-4871755-A Method for treating diabetes obesity and conditions characterized by increased protein breakdown with novel oxazolidines HOFFMANN-LA ROCHE INC. (US) 1989-10-03 US disclosed
US-4800206-A ANTIDIABETIC AGENTS; HYPOGLYCEMIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1989-01-24 US disclosed
EP-0140243-B1 PHENOXYPROPANOL AMINES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1988-11-09 EP disclosed
US-4743604-A ANTIBESITY, ANTIDIABETIC, FEEDS HOFFMANN-LA ROCHE INC. (US) 1988-05-10 US disclosed
EP-0254856-A2 Pyridinethanol amine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1988-02-03 EP disclosed
CN-85101280-A Benzene oxygen propanol amine compounds 1987-01-17 CN disclosed
US-4585796-A HYPOGLYCEMIC, ANTI-OBESITY HOFFMANN-LA ROCHE INC. (US) 1986-04-29 US disclosed
EP-0101069-B1 PHENETHANOL AMINES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-04-23 EP disclosed
EP-0170121-A1 2-Hydroxy-3-aryloxypropyl or 2-hydroxy-2-benzofuranyl ethyl tertiary amine having an anti-hyperglycaemic and/or anti-obesity activity BEECHAM GROUP PLC (GB) 1986-02-05 EP disclosed
EP-0151513-A1 Inotropic agent ELI LILLY AND COMPANY (US) 1985-08-14 EP disclosed
EP-0140243-A2 Phenoxypropanol amines F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-05-08 EP disclosed
EP-0101069-A1 Phenethanol amines F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-02-22 EP disclosed