SCHEMBL6300686

SCHEMBL6300686

CC(C)(C)OC(=O)NCC(N)Cc1c[nH]c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.59
CTSS P25774 1/20 0.59
CTSK P43235 1/20 0.59
TACR1 P25103 2/20 0.55
HTR2A P28223 2/20 0.54
MAPT P10636 4/20 0.54
TP53 P04637 1/20 0.54
SSTR3 P32745 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
MPO P05164 1/20 0.52
TSHR P16473 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
KMT2A Q03164 1/20 0.52
HIF1A Q16665 1/20 0.52
ACE P12821 1/20 0.52
P4HB P07237 3/20 0.51

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
SCHEMBL13821713 1.00 CTSL (0.59) CTSLCTSSCTSKTACR1HTR2A
SCHEMBL6127308 0.84 HTR2A (0.52) CTSLCTSSCTSKTACR1HTR2A
SCHEMBL7413707 0.82 CTSL (0.59) CTSLCTSSCTSKTACR1HTR2A
SCHEMBL10059278 0.82 HTR2A (0.54) TACR1HTR2AMAPTSMN1; SMN2KDM4E
SCHEMBL2733752 0.82 MAPT (0.55) CTSLCTSSCTSKHTR2AMAPT
SCHEMBL15346967 0.82 HTR2A (0.54) TACR1HTR2AMAPTSMN1; SMN2KDM4E
SCHEMBL2733747 0.82 MAPT (0.55) CTSLCTSSCTSKHTR2AMAPT
SCHEMBL2733750 0.82 MAPT (0.55) CTSLCTSSCTSKHTR2AMAPT
SCHEMBL19100705 0.82 CTSL (0.58) CTSLCTSSCTSKTACR1MAPT
SCHEMBL13301913 0.81 MAPT (0.49) CTSLCTSSCTSKTACR1HTR2A

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 14 patents. 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-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
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-5684033-A ANTIARTHRITIC AGENTS, ANALGESICS AND MIGRAINE ELI LILLY AND COMPANY (US) 1997-11-04 US disclosed
US-5670499-A PHYSIOLOGICAL DISORDERS, GASTROINTESTINAL DISORDERS, ANTIINFLAMMATORY AGENTS ELI LILLY AND COMPANY (US) 1997-09-23 US 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
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
WO-1995014017-A1 NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1995-05-26 WO disclosed