SCHEMBL7141265

SCHEMBL7141265

CNCCc1c(C)[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 4/20 0.76
MAPT P10636 4/20 0.58
SNCA P37840 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
STK17B O94768 1/20 0.46
STK17A Q9UEE5 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
HTR1D P28221 3/20 0.45
HTR1B P28222 3/20 0.45
HTR1A P08908 2/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR7 P34969 1/20 0.45
HTR2B P41595 1/20 0.45
HTR6 P50406 1/20 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
SCHEMBL7141051 0.89 HTR1F (0.71) HTR1FMAPTSNCAMEN1KMT2A
SCHEMBL7144554 0.88 HTR1F (0.77) HTR1FMAPTSNCAMEN1KMT2A
SCHEMBL7143303 0.86 HTR1F (1.00) HTR1FMAPTMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL7138726 0.85 HTR1F (0.98) HTR1FMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7144596 0.84 HTR1F (0.66) HTR1FMAPTSNCAMEN1KMT2A
SCHEMBL7144771 0.83 HTR1F (0.83) HTR1FMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8598857 0.83 HTR1F (0.81) HTR1FMAPTSNCAMEN1KMT2A
SCHEMBL7142217 0.82 HTR1F (0.62) HTR1FMAPTSNCAMEN1KMT2A
SCHEMBL7145129 0.82 HTR1F (0.62) HTR1FMAPTSNCAMEN1KMT2A
SCHEMBL7144206 0.82 HTR1F (0.62) HTR1FMAPTSNCAMEN1KMT2A

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
CN-1233180-A Treatment of the common cold or allergic rhinitis LILLY CO ELI (US) 1999-10-27 CN 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
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