SCHEMBL7141202

SCHEMBL7141202

Cc1[nH]c2ccc(NC(=O)c3cccnc3)cc2c1CCN(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.69
RAB9A P51151 5/20 0.52
NPSR1 Q6W5P4 3/20 0.49
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 4/20 0.49
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 5/20 0.48
GFER P55789 1/20 0.47
HTR6 P50406 3/20 0.47
HTR7 P34969 2/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
HTR2B P41595 1/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
HTR1A P08908 1/20 0.46
SLC6A2 P23975 1/20 0.46

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
SCHEMBL7138192 0.88 HTR1F (0.80) HTR1FRAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL7660364 0.83 HTR1F (0.71) HTR1FRAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL7147532 0.83 HTR1F (0.77) HTR1FNPSR1ALDH1A1KMT2AMAPT
SCHEMBL7662432 0.83 HTR1F (0.84) HTR1FRAB9AALDH1A1KMT2ANPC1
SCHEMBL7140380 0.83 HTR1F (0.80) HTR1FRAB9ANPSR1KMT2ASMN1; SMN2
SCHEMBL7138101 0.83 HTR1F (0.70) HTR1FRAB9AALDH1A1KMT2ANPC1
SCHEMBL7141199 0.82 HTR1F (0.78) HTR1FKMT2AMAPTHTR6HTR7
SCHEMBL7143341 0.82 HTR1F (0.81) HTR1FRAB9AALDH1A1KMT2AMAPT
SCHEMBL7140337 0.82 HTR1F (0.84) HTR1FNPSR1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7146395 0.82 HTR1F (0.81) HTR1FRAB9AALDH1A1KMT2ASMN1; SMN2

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