SCHEMBL7140138

SCHEMBL7140138

Cc1[nH]c2ccc(NC(=O)c3cccs3)cc2c1CCN(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.66
HTR6 P50406 3/20 0.49
HTR7 P34969 2/20 0.49
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
HTR2B P41595 1/20 0.49
MAPT P10636 6/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
LMNA P02545 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HTR1A P08908 1/20 0.47
SLC6A2 P23975 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1E P28566 1/20 0.47
HTR5A P47898 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KMT2A Q03164 9/20 0.47
MEN1 O00255 8/20 0.47

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
SCHEMBL7144557 0.85 HTR1F (0.64) HTR1FHTR6HTR7ADRA2AADRA2B
SCHEMBL7142239 0.84 HTR1F (0.67) HTR1FHTR6HTR7ADRA2AADRA2B
SCHEMBL7143059 0.84 HTR1F (0.67) HTR1FHTR6HTR7ADRA2AADRA2B
SCHEMBL7138192 0.83 HTR1F (0.80) HTR1FHTR6HTR7ADRA2AADRA2B
SCHEMBL7141728 0.83 HTR1F (0.64) HTR1FHTR6HTR7ADRA2AADRA2B
SCHEMBL7662080 0.83 HTR1F (0.64) HTR1FHTR6HTR7ADRA2AADRA2B
SCHEMBL7147525 0.82 HTR1F (0.67) HTR1FHTR6HTR7ADRA2AADRA2B
SCHEMBL7146872 0.82 HTR1F (0.61) HTR1FHTR6HTR7ADRA2AADRA2B
SCHEMBL7136314 0.82 HTR1F (0.71) HTR1FHTR6HTR7ADRA2AADRA2B
SCHEMBL7136637 0.81 HTR1F (0.46) HTR1FMAPTNPC1RAB9ALMNA

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-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