SCHEMBL7146077

SCHEMBL7146077

Cc1[nH]c2ccc(NC(=O)C3CCCC3)cc2c1CCN(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.62
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
HTR6 P50406 3/20 0.51
HTR7 P34969 2/20 0.51
ADRA2A P08913 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
HTR2B P41595 1/20 0.51
HTR1A P08908 1/20 0.49
SLC6A2 P23975 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1E P28566 1/20 0.49
HTR5A P47898 1/20 0.49
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
POLB P06746 2/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45

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
SCHEMBL7143778 0.99 HTR1F (0.61) HTR1FMAOAMAOBHTR6HTR7
SCHEMBL7138281 0.98 HTR1F (0.62) HTR1FMAOAMAOBHTR6HTR7
SCHEMBL7144819 0.96 HTR1F (0.64) HTR1FMAOAMAOBHTR6HTR7
SCHEMBL7138123 0.83 HTR1F (0.71) HTR1FHTR6HTR7ADRA2AADRA2B
SCHEMBL8180418 0.81 HTR1F (0.43) HTR1FMAOAMAOBMTNR1AMTNR1B
SCHEMBL7139743 0.81 HTR1F (0.68) HTR1FHTR6HTR7ADRA2AADRA2B
SCHEMBL7136327 0.80 HTR1F (0.67) HTR1FHTR6HTR7ADRA2AADRA2B
Acetic Acid SCHEMBL8192311 0.78 HTR1F (0.42) HTR1FMAOAMAOBMTNR1AMTNR1B
SCHEMBL7138192 0.78 HTR1F (0.80) HTR1FMAOAMAOBHTR6HTR7
SCHEMBL7662432 0.78 HTR1F (0.84) HTR1FHTR6HTR7ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0768301-B1 N-(2-substituted-3-(2-aminoethyl)-1H-indol-5-yl)-amides as new 5-HT1F agonists LILLY CO ELI (US) 2003-04-02 EP disclosed
US-6380201-B1 Methods of treating or ameliorating the symptoms of common cold or allergic rhinitis with serotonin 5-HT1F agonists ELI LILLY AND COMPANY 2002-04-30 US disclosed
US-6126932-A INSOLUBLE POLYMER BEARING PENDANT SIDE CHAINS, SAID SIDE CHAINS EACH TERMINATING WITH THE 1-(3-(1-PYRROLIDINYL)-PROPYL)-3-ETHYLCARBODIIMIDE MOIETY. ELI LILLY AND COMPANY (US) 2000-10-03 US disclosed
EP-0994109-A2 1-(3-(1-Pyrrolidinyl)propyl)-3-ethylcarbodiimide and a solid phase coupling agent ELI LILLY AND COMPANY (US) 2000-04-19 EP disclosed
US-5998630-A A 1-(3-(1-PYRROLIDINYL)PROPY)-3-ETHYLCARBODIIMIDE ELI LILLY AND COMPANY (US) 1999-12-07 US disclosed
EP-0824917-A2 Use of a serotonin 5-HTlf agonist in the manufacture of a medicament for treating or ameliorating the symptoms of common cold or allergic rhinitis ELI LILLY AND COMPANY (US) 1998-02-25 EP disclosed
WO-1998006402-A1 TREATMENT OF THE COMMON COLD OR ALLERGIC RHINITIS ELI LILLY AND COMPANY (US) 1998-02-19 WO disclosed
EP-0768301-A1 N-(2-substituted-3-(2-aminoethyl)-1H-indol-5-yl)-amides as new 5-HT1F agonists ELI LILLY AND COMPANY (US) 1997-04-16 EP disclosed