SCHEMBL8760849

SCHEMBL8760849

CCn1cnc(CC(N)C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 14/20 0.61
CPB1 P15086 5/20 0.50
GRIA1 P42261 3/20 0.42
GRIA2 P42262 3/20 0.42
GRIA3 P42263 3/20 0.42
GRIA4 P48058 3/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL7741446 1.00 CPB2 (0.61) CPB2CPB1GRIA1GRIA2GRIA3
SCHEMBL10583023 0.88 CPB2 (0.64) CPB2CPB1GRIA1GRIA2GRIA3
SCHEMBL6328167 0.88 CPB2 (0.64) CPB2CPB1GRIA1GRIA2GRIA3
SCHEMBL6057065 0.85 CPB2 (0.66) CPB2CPB1GRIA1GRIA2GRIA3
SCHEMBL14523660 0.84 CPB2 (0.45) CPB2CPB1CYP1A2
SCHEMBL365026 0.84 CPB2 (0.45) CPB2CPB1CYP1A2
SCHEMBL2489370 0.84 CPB2 (0.46) CPB2CPB1CYP1A2
SCHEMBL13602099 0.84 CPB2 (0.65) CPB2CPB1GRIA4CYP1A2
SCHEMBL7733278 0.83 CPB2 (0.64) CPB2CPB1GRIA4CYP1A2
Hydrochloric Acid SCHEMBL6333571 0.81 CPB2 (0.51) CPB2CPB1GRIA1GRIA2GRIA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0291626-A2 Process for the preparation of optically-active cyanomethyl esters E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-11-23 EP claimed
US-4570017-A Preparation of optically-active (mixed) anhydrides and acids SHELL OIL COMPANY (US) 1986-02-11 US claimed
US-4560515-A NON-SYMMETRICAL KETENE REACTED WITH A-HYDROXYNITRILE; TERTUARY AMINE CATALYST SHELL OIL COMPANY (US) 1985-12-24 US claimed
US-4529810-A Preparation of optically-active alpha-substituted carboxylic esters and acids SHELL OIL COMPANY (US) 1985-07-16 US claimed
EP-0109681-A2 process for the preparation of optically-active cyanomethyl esters E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-05-30 EP claimed
EP-0767800-A1 HISTIDINE AND HOMOHISTIDINE DERIVATIVES AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER-LAMBERT COMPANY (US) 1997-04-16 EP disclosed
WO-1996000736-A1 HISTIDINE AND HOMOHISTIDINE DERIVATIVES AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER-LAMBERT COMPANY (US) 1996-01-11 WO disclosed
EP-0312124-A2 Process for the preparation of optically-active cyanomethyl esters E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-04-19 EP disclosed
EP-0291626-A2 Process for the preparation of optically-active cyanomethyl esters E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-11-23 EP disclosed
US-4681947-A NONSYMMETRICAL KETENE, ALPHA-HYDROXY NITRILE OR ALDEHYDE AND CYANIDE, CYCLO(D-PHENYLALANYL-D-HISTADINE) E.I. DU PONT DE NEMOURS AND COMPANY 1987-07-21 US disclosed
US-4570017-A Preparation of optically-active (mixed) anhydrides and acids SHELL OIL COMPANY (US) 1986-02-11 US disclosed
US-4560515-A NON-SYMMETRICAL KETENE REACTED WITH A-HYDROXYNITRILE; TERTUARY AMINE CATALYST SHELL OIL COMPANY (US) 1985-12-24 US disclosed
US-4529810-A Preparation of optically-active alpha-substituted carboxylic esters and acids SHELL OIL COMPANY (US) 1985-07-16 US disclosed
EP-0116914-A1 Preparation of optically-active alpha-substituted carboxylic esters and acids E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-08-29 EP disclosed
EP-0109681-A2 process for the preparation of optically-active cyanomethyl esters E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-05-30 EP disclosed