SCHEMBL7138802

SCHEMBL7138802

Cc1[nH]c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2c1CCN(C)C

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.58
MAPT P10636 10/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
RAB9A P51151 4/20 0.55
NPC1 O15118 3/20 0.55
MCL1 Q07820 1/20 0.55
KMT2A Q03164 1/20 0.53
HTT P42858 3/20 0.51
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
HTR7 P34969 1/20 0.48
HTR2B P41595 1/20 0.48
HTR6 P50406 1/20 0.48
ALDH1A1 P00352 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
SCHEMBL7143752 0.87 HTR1F (0.64) HTR1FMAPTRAB9ANPC1KMT2A
SCHEMBL7142323 0.85 HTR1F (0.74) HTR1FMAPTSMN1; SMN2KMT2ALMNA
Bromide SCHEMBL7143679 0.84 HTR1F (0.72) HTR1FMAPTSMN1; SMN2KMT2ALMNA
SCHEMBL7141196 0.81 HTR1F (0.68) HTR1FMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL7143345 0.81 HTR1F (0.63) HTR1FMAPTRAB9ANPC1KMT2A
SCHEMBL8589137 0.80 HTR6 (0.61) HTR1FMAPTKMT2ALMNAPOLB
SCHEMBL7142304 0.79 HTR1F (0.67) HTR1FMAPTSMN1; SMN2KMT2AHTT
SCHEMBL7136418 0.78 HTR1F (0.74) HTR1FMAPTRAB9ANPC1KMT2A
SCHEMBL7146412 0.78 HTR1F (0.81) HTR1FMAPTRAB9AKMT2AADRA2A
SCHEMBL7142148 0.78 HTR1F (0.76) HTR1FMAPTSMN1; SMN2KMT2ALMNA

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