SCHEMBL7159682

SCHEMBL7159682

CC(CCCN(C)C)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
ALDH1A1 P00352 3/20 0.36
HRH4 Q9H3N8 2/20 0.36
CYP1A2 P05177 1/20 0.36
HRH2 P25021 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CA1 P00915 3/20 0.33
CA2 P00918 1/20 0.33
LTA4H P09960 1/20 0.33

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
Hydrochloric Acid SCHEMBL21197485 0.98 ALDH1A1 (0.37) NOS2NOS3NOS1ALDH1A1HRH4
SCHEMBL28693236 0.94 ALDH1A1 (0.40) NOS2NOS3NOS1ALDH1A1HRH4
SCHEMBL7508980 0.86 CHRNB2 (0.36) NOS2NOS3NOS1ALDH1A1HRH4
Hydrochloric Acid SCHEMBL21197508 0.84 CHRNB2 (0.35) NOS2NOS3NOS1ALDH1A1TDP1
SCHEMBL15340966 0.81 BLM (0.44) CYP1A2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13368999 0.80 BLM (0.52) NOS2NOS3NOS1ALDH1A1CYP1A2
SCHEMBL11256507 0.80 CA1 (0.48) NOS2NOS3NOS1ALDH1A1HRH4
SCHEMBL28060820 0.80 USP2 (0.40) ALDH1A1TSHRUSP2HTR2AHRH1
SCHEMBL8588686 0.80 BLM (0.52) NOS2NOS3NOS1ALDH1A1CYP1A2
SCHEMBL9763558 0.79 CA1 (0.44) NOS2ALDH1A1CA1CA2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101146764-A Metabolites of 2-arylpropionic acid derivatives and pharmaceutical compositions containing them DOMPE PHA R MA SPA RES & MFG (IT) 2008-03-19 CN claimed
EP-3997079-A1 GLUCOPYRANOSYL DERIVATIVES AND THEIR USES Sunshine Lake Pharma Co., Ltd. (CN) 2022-05-18 EP disclosed
WO-2021004498-A1 GLUCOPYRANOSYL DERIVATIVES AND THEIR USES SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-01-14 WO disclosed
EP-3743412-A1 GLUCOPYRANOSYL DERIVATIVE AND USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2020-12-02 EP disclosed
WO-2019144864-A1 GLUCOPYRANOSYL DERIVATIVE AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-08-01 WO disclosed
CN-101146764-A Metabolites of 2-arylpropionic acid derivatives and pharmaceutical compositions containing them DOMPE PHA R MA SPA RES & MFG (IT) 2008-03-19 CN disclosed
EP-1366018-A1 OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS Dompé S.P.A. (IT) 2003-12-03 EP disclosed
WO-2002068377-A1 OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS Dompé S.p.A. (IT) 2002-09-06 WO disclosed