SCHEMBL7140380

SCHEMBL7140380

Cc1[nH]c2ccc(NC(=O)c3cccc(F)c3)cc2c1CCN(C)C

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 2/20 0.80
HTR6 P50406 4/20 0.54
HTR7 P34969 3/20 0.54
HTR2B P41595 2/20 0.54
HTR1A P08908 2/20 0.54
HTR1D P28221 2/20 0.54
HTR1B P28222 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR4 Q13639 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
ADRA2A P08913 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
MAPT P10636 4/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
GAA P10253 1/20 0.49
KCNK3 O14649 2/20 0.48
KCNK9 Q9NPC2 1/20 0.48

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
SCHEMBL7140337 0.91 HTR1F (0.84) HTR1FHTR6HTR7HTR2BHTR1A
SCHEMBL7143303 0.89 HTR1F (1.00) HTR1FHTR6HTR7HTR2BHTR1A
SCHEMBL7138192 0.89 HTR1F (0.80) HTR1FHTR6HTR7HTR2BHTR1A
SCHEMBL7138101 0.88 HTR1F (0.70) HTR1FHTR6HTR7HTR2BHTR1A
Hydrochloric Acid SCHEMBL7138726 0.88 HTR1F (0.98) HTR1FHTR6HTR7HTR2BHTR1A
SCHEMBL7146383 0.88 HTR1F (0.73) HTR1FHTR6HTR7HTR2BHTR1A
SCHEMBL7146390 0.87 HTR1F (0.69) HTR1FHTR6HTR7HTR2BHTR1A
SCHEMBL7138319 0.87 HTR1F (0.81) HTR1FHTR6HTR7HTR2BHTR1A
SCHEMBL7662432 0.84 HTR1F (0.84) HTR1FHTR6HTR7HTR2BHTR1A
SCHEMBL7146433 0.84 HTR1F (0.73) HTR1FHTR6HTR7HTR2BHTR1A

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 7 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
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