SCHEMBL7290633

SCHEMBL7290633

C[C@H](N)C(=O)NCCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 4/20 0.58
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 0.46
GABRB2 P47870 2/20 0.46
GABRA4 P48169 2/20 0.46
GABRE P78334 2/20 0.46
GABRA6 Q16445 2/20 0.46
GABRG1 Q8N1C3 2/20 0.46
GABRG3 Q99928 2/20 0.46
GABRQ Q9UN88 2/20 0.46
TERT O14746 1/20 0.45
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 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
SCHEMBL29360302 1.00 ECE1 (0.58) ECE1GABRPGABRDGABRA1GABRB1
SCHEMBL7290638 1.00 ECE1 (0.58) ECE1GABRPGABRDGABRA1GABRB1
SCHEMBL8389957 0.88 ADRA1A (0.47) ECE1GABRPGABRDGABRA1GABRB1
SCHEMBL27765049 0.88 ADRA1A (0.47) ECE1GABRPGABRDGABRA1GABRB1
SCHEMBL22987357 0.87 ECE1 (0.50) ECE1GABRPGABRDGABRA1GABRB1
SCHEMBL8388348 0.86 ADRA1A (0.55) ECE1PLA2G2A
SCHEMBL8390709 0.84 ADRA1A (0.58) PLA2G2A
SCHEMBL9140084 0.84 USP2 (0.50) ECE1TERTDPP4DPP8ANPEP
SCHEMBL9140089 0.84 USP2 (0.50) ECE1TERTDPP4DPP8ANPEP
SCHEMBL7400813 0.83 ECE1 (0.59) ECE1GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109803657-A Pharmaceutical composition 武汉朗来科技发展有限公司 2019-05-24 CN claimed
CN-114269367-A Therapeutic peptides 科巴公司 2022-04-01 CN disclosed
CN-108883195-A Prodrugs of cytotoxic active substances with enzymatically cleavable groups 拜耳制药股份公司 2018-11-23 CN disclosed
CN-108025086-A Antibody-active agent conjugates (ADC) of KSP inhibitors and anti-B7H 3 antibodies 拜耳制药股份公司 2018-05-11 CN disclosed
CN-108025084-A Antibody Drug Conjugates (ADC) and antibody prodrug conjugates (APDC) with enzyme cleavable groups 拜耳医药股份有限公司 2018-05-11 CN disclosed
CN-107921146-A Spindle drives the antibody drug conjugate (ADC) of albumen (KSP) inhibitor and the antibody of anti-CD123 拜耳医药股份有限公司 2018-04-17 CN disclosed
CN-107921145-A The antibody drug conjugate of KSP inhibitor and anti-TWEAKR antibody(ADC) 拜耳医药股份有限公司 2018-04-17 CN disclosed
EP-2882764-A1 NEW IRIDIUM-BASED COMPLEXES FOR ECL Roche Diagnostics GmbH (DE) 2015-06-17 EP disclosed
WO-2014019708-A1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2014-02-06 WO disclosed
CN-101868563-B Base processing agent for metal material and method for processing base for metal material NIHON PARKERIZING 2012-09-12 CN disclosed
EP-0910351-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-28 EP disclosed
WO-1997049387-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed
EP-0626942-B1 BICYCLO[2.2.2.]OCTANE DERIVATIVES AS CHOLESTOCYSTOKININ INHIBITORS BLACK JAMES FOUNDATION (GB) 1997-04-23 EP disclosed
US-5514683-A LIGANDS FKOR CHOLECYSTOKININ OR GASTRIN RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 1996-05-07 US disclosed
EP-0626942-A1 BICYCLO 2.2.2.]OCTANE DERIVATIVES AS CHOLESTOCYSTOKININ INHIBITORS. BLACK JAMES FOUNDATION (GB) 1994-12-07 EP disclosed
EP-0546108-A4 PRO-DRUGS FOR CCK ANTAGONISTS 1993-09-22 EP disclosed
WO-1993016982-A1 BICYCLO[2.2.2.]OCTANE DERIVATIVES AS CHOLESTOCYSTOKININ INHIBITORS JAMES BLACK FOUNDATION LIMITED (GB) 1993-09-02 WO disclosed
EP-0546108-A1 PRO-DRUGS FOR CCK ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1993-06-16 EP disclosed
US-4963539-A TREATING HEART FAILURE, PAIN OR DIARRHEA E. R. SQUIBB & SONS, INC. (US) 1990-10-16 US disclosed
EP-0306879-A2 Phosphonate and phosphonamide endopeptidase inhibitors E.R. SQUIBB & SONS, INC. (US) 1989-03-15 EP disclosed