SCHEMBL6299745

SCHEMBL6299745

COc1ccccc1CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.75
MAPT P10636 4/20 0.74
LMNA P02545 1/20 0.74
CTSL P07711 4/20 0.72
CTSS P25774 1/20 0.72
CTSK P43235 1/20 0.72
TP53 P04637 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.61
ACHE P22303 2/20 0.57
BCHE P06276 1/20 0.57
CCKBR P32239 2/20 0.57
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56
ACE P12821 1/20 0.56
TACR3 P29371 1/20 0.55

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
SCHEMBL8482130 0.90 CTSL (0.73) TACR1MAPTLMNACTSLCTSS
SCHEMBL7745574 0.89 CTSL (0.72) TACR1MAPTLMNACTSLCTSS
SCHEMBL9834534 0.88 CTSL (0.80) TACR1MAPTLMNACTSLCTSS
Water SCHEMBL27383247 0.86 MAPT (0.76) TACR1MAPTLMNACTSLCTSS
SCHEMBL29419170 0.86 CTSL (0.77) TACR1MAPTCTSLCTSSCTSK
SCHEMBL21286953 0.86 CTSL (0.77) TACR1MAPTCTSLCTSSCTSK
SCHEMBL21269082 0.86 CTSL (0.77) TACR1MAPTCTSLCTSSCTSK
SCHEMBL17807348 0.86 CTSL (0.80) TACR1MAPTCTSLCTSSCTSK
SCHEMBL9263952 0.86 TACR1 (1.00) TACR1MAPTLMNACTSLCTSS
SCHEMBL27839975 0.85 CTSL (0.69) TACR1MAPTLMNACTSLCTSS

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
US-6869957-B1 Non-peptide tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2005-03-22 US disclosed
US-6727255-B1 BRAIN, NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY 2004-04-27 US disclosed
EP-0699665-B1 Imidazoline derivatives, their preparation and their use as tachykinin receptor antagonists LILLY CO ELI (US) 2003-03-05 EP disclosed
EP-0729468-B1 NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2003-01-15 EP disclosed
US-6403577-B1 Hexamethyleneiminyl tachykinin receptor antagonists ELI LILLY AND COMPANY 2002-06-11 US disclosed
US-6303610-B1 ADMINISTERING TRYPTOPHAN DERIVATIVES AS NEUTROPHIL MEDIATED OXIDANT PRODUCTION FOR THERAPY OF NEUTROPHIL ASSOCIATED DISEASES AND DISORDERS ELI LILLY AND COMPANY 2001-10-16 US disclosed
US-6175013-B1 1-(2-METHOXYBENZYL)-2-((4-PHENYL-1-PIPERAZINYL)METHYL)-4-(1H -INDOL-3-YLMETHYL)-2-IMIDAZOLINE, FOR EXAMPLE; ADMINSTERING TO TREAT ANXIETY, DEPRESSION, PSYCHOSIS, AND SCHIZOPHRENIA ELI LILLY AND COMPANY 2001-01-16 US disclosed
EP-0994712-A1 INHIBITORS OF NEUTROPHIL MEDIATED OXIDANT PRODUCTION ELI LILLY AND COMPANY (US) 2000-04-26 EP disclosed
WO-1999002163-A1 INHIBITORS OF NEUTROPHIL MEDIATED OXIDANT PRODUCTION ELI LILLY AND COMPANY (US) 1999-01-21 WO disclosed
US-5792760-A USEFUL IN TREATMENT OF PSYCHOLOGICAL AND CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1998-08-11 US disclosed
US-5670499-A PHYSIOLOGICAL DISORDERS, GASTROINTESTINAL DISORDERS, ANTIINFLAMMATORY AGENTS ELI LILLY AND COMPANY (US) 1997-09-23 US disclosed
EP-0761220-A1 2-Acylaminopropanamides as growth hormone secretagogues ELI LILLY AND COMPANY (US) 1997-03-12 EP disclosed
EP-0761219-A1 2-Acylaminopropanamines as growth hormone secretagogues ELI LILLY AND COMPANY (US) 1997-03-12 EP disclosed
WO-1997007117-A1 2-ACYLAMINOPROPANAMINES AS GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1997-02-27 WO disclosed
WO-1997006803-A1 2-ACYLAMINOPROPANAMIDES AS GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1997-02-27 WO disclosed
US-5565568-A USEFUL IN TREATMENT OR PREVENTION OF A PHYSIOLOGICAL DISORDER ASSOCIATED WITH AN EXCESS OF TACHYKININS ELI LILLY AND COMPANY (US) 1996-10-15 US disclosed
EP-0729468-A1 NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-09-04 EP disclosed
EP-0729468-A4 NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1996-07-12 EP disclosed
EP-0699665-A1 Imidazoline derivatives, their preparation and their use as tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-03-06 EP disclosed
WO-1995014017-A1 NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1995-05-26 WO disclosed