SCHEMBL514741

SCHEMBL514741

CNC1(C=O)CCCCC1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL3881008 0.97
SCHEMBL28046269 0.92
SCHEMBL12669935 0.86
SCHEMBL5681598 0.78
SCHEMBL29164954 0.75
SCHEMBL7456498 0.70
SCHEMBL28002825 0.69 NPSR1 (0.34)
SCHEMBL5592147 0.69 HTT (0.35)
SCHEMBL3093430 0.69 CYP2C19 (0.31)
SCHEMBL1821278 0.67 ALDH1A1 (0.36)

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120027706-A1 METHODS FOR TREATING SKIN PIGMENTATION SHAPIRO STANLEY S (US) 2012-02-02 US claimed
JP-4401441-B2 2010-01-20 JP claimed
US-20080249029-A1 Administering (S)-N-Methyl-D-phenylalanyl-N-[4-[(aminoiminomethyl)aminol-1-(2-benzothiazolylcarbonyl)butyl-L-prolinamide as a protease activated receptor-2 modulator SHAPIRO STANLEY S 2008-10-09 US claimed
EP-0833839-B1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMA CORP (US) 2003-01-08 EP claimed
US-6323219-B1 PRODRUGS AND PEPTIDES FOR ANTIINFLAMMATORY AGENTS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-11-27 US claimed
JP-2001502360-A 2001-02-20 JP claimed
CN-1234735-A Method for treating skin pigmentation JOHNSON & JOHNSON CONSUMER (US) 1999-11-10 CN claimed
EP-0948308-A1 METHODS FOR TREATING SKIN PIGMENTATION JOHNSON &amp; JOHNSON CONSUMER PRODUCTS, INC. (US) 1999-10-13 EP claimed
WO-1999004752-A9 METHODS FOR TREATING SKIN PIGMENTATION JOHNSON & JOHNSON CONSUMER (US) 1999-04-08 WO claimed
WO-1999004752-A2 METHODS FOR TREATING SKIN PIGMENTATION JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 1999-02-04 WO claimed
EP-0833839-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-04-08 EP claimed
WO-1996040742-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATEDDISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO claimed
WO-1996040741-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO claimed
WO-1996040748-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO claimed
US-5523308-A SERINE PROTEASES INHIBITORS; ORAL ANTICOAGULANTS; CHEMICAL INTERMEDIATES; DIPEPTIDES ORTHO PHARMACEUTICAL CORPORATION 1996-06-04 US claimed
EP-3769776-A1 PEPTIDOMIMETIC MACROCYCLES Aileron Therapeutics, Inc. (US) 2021-01-27 EP disclosed
WO-2017205786-A1 CELL PERMEABLE PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2017-11-30 WO disclosed
EP-0705591-A2 Cyclic amidocarboxy surfactants, synthesis and use thereof STEPAN COMPANY (US) 1996-04-10 EP disclosed
EP-0486510-B1 CYCLIC AMIDOCARBOXY SURFACTANTS, SYNTHESIS AND USE THEREOF STEPAN CO (US) 1996-02-14 EP disclosed
EP-0688601-A1 Cyclic amidocarboxy surfactants, synthesis and use thereof STEPAN COMPANY (US) 1995-12-27 EP disclosed