SCHEMBL7140358

SCHEMBL7140358

Cc1[nH]c2ccc(N)cc2c1CCN(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.69
HTR7 P34969 6/20 0.69
ADRA2A P08913 1/20 0.69
ADRA2B P18089 1/20 0.69
ADRA2C P18825 1/20 0.69
HTR2B P41595 1/20 0.69
HTR1D P28221 6/20 0.66
HTR1A P08908 4/20 0.66
HTR5A P47898 3/20 0.66
HTR1E P28566 2/20 0.66
SLC6A2 P23975 1/20 0.66
CYP3A4 P08684 2/20 0.52
HSD17B10 Q99714 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTR3A P46098 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL6235393 0.84 HTR6 (0.73) HTR6HTR7ADRA2AADRA2BADRA2C
SCHEMBL1817642 0.82 HTR6 (1.00) HTR6HTR7ADRA2AADRA2BADRA2C
SCHEMBL4657845 0.82 HTR6 (0.69) HTR6HTR7ADRA2AADRA2BADRA2C
SCHEMBL5766124 0.79 HTR6 (1.00) HTR6HTR7ADRA2AADRA2BADRA2C
SCHEMBL29633021 0.79 HTR6 (1.00) HTR6HTR7ADRA2AADRA2BADRA2C
SCHEMBL3116596 0.79 HSD17B10 (0.53) HTR6HTR7ADRA2AADRA2BADRA2C
SCHEMBL5781334 0.78 HTR6 (1.00) HTR6HTR7ADRA2AADRA2BADRA2C
SCHEMBL18509850 0.77 APEX1 (0.59) HTR6HTR7HTR1DCYP3A4HSD17B10
SCHEMBL8589137 0.76 HTR6 (0.61) HTR6HTR7ADRA2AADRA2BADRA2C
SCHEMBL7138123 0.74 HTR1F (0.71) HTR6HTR7ADRA2AADRA2BADRA2C

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 12 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
US-5962473-A Methods of treating or ameliorating the symptoms of common cold or allergic rhinitis with serotonin 5-HT1F ELI LILLY AND COMPANY (US) 1999-10-05 US disclosed
US-5942536-A USEFUL FOR TREATING MIGRAINE ELI LILLY AND COMPANY (US) 1999-08-24 US disclosed
WO-1998047868-A1 HETEROCYCLE-CONTAINING UREA DERIVATIVES AS 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-10-29 WO 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
WO-1997013512-A1 N-[2-SUBSTITUTED-3-(2-AMINOETHYL)-1H-INDOL-5-YL]-AMIDES: NEW 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1997-04-17 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