SCHEMBL6301682

SCHEMBL6301682

COc1ccccc1CNCC(N)Cc1c[nH]c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.58
GAA P10253 1/20 0.57
TACR1 P25103 4/20 0.54
HTR1A P08908 3/20 0.53
HTR7 P34969 2/20 0.53
HTR6 P50406 2/20 0.53
ADRB1 P08588 1/20 0.53
ADRA2A P08913 1/20 0.53
SLC6A2 P23975 1/20 0.53
HTR1D P28221 1/20 0.53
HTR1B P28222 1/20 0.53
HTR2C P28335 1/20 0.53
HTR1E P28566 1/20 0.53
SLC6A4 P31645 1/20 0.53
HTR2B P41595 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KMT2A Q03164 5/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 4/20 0.50
LMNA P02545 3/20 0.50

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
Hydrochloric Acid SCHEMBL7837180 0.99 GAA (0.58) HTR2AGAATACR1HTR1AHTR7
Hydrochloric Acid SCHEMBL7834943 0.99 GAA (0.58) HTR2AGAATACR1HTR1AHTR7
SCHEMBL6952606 0.81 TACR1 (0.67) GAATACR1MAPTLMNA
SCHEMBL13973477 0.80 HTR2A (0.73) HTR2ATACR1HTR1AHTR7HTR6
SCHEMBL7084628 0.80 TACR1 (0.56) HTR2AGAATACR1HTR1AHTR7
SCHEMBL6306640 0.80 MAPT (0.61) HTR2AGAATACR1KMT2AMEN1
SCHEMBL6299360 0.80 TACR1 (0.56) HTR2AGAATACR1HTR1AHTR7
SCHEMBL7089394 0.80 MAPT (0.61) HTR2AGAATACR1KMT2AMEN1
Hydrochloric Acid SCHEMBL6306434 0.80 MAPT (0.60) HTR2AGAATACR1KMT2AMEN1
SCHEMBL8690222 0.79 MAPT (0.64) GAATACR1KMT2AMEN1MAPT

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 17 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-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-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
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