SCHEMBL7143949

SCHEMBL7143949

Cc1[nH]c2ccc(NC(=O)c3ccco3)cc2c1CCN(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.66
MAPT P10636 7/20 0.54
RAB9A P51151 7/20 0.54
ALDH1A1 P00352 6/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
NPC1 O15118 4/20 0.54
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 5/20 0.53
KDM4E B2RXH2 2/20 0.53
ALOX15 P16050 1/20 0.53
CASP1 P29466 1/20 0.53
TP53 P04637 3/20 0.50
PKM P14618 2/20 0.50
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

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
SCHEMBL7145049 0.84 HTR1F (0.67) HTR1FMAPTRAB9AALDH1A1NPC1
SCHEMBL7142307 0.84 HTR1F (0.66) HTR1FMAPTRAB9AALDH1A1MEN1
SCHEMBL7138192 0.83 HTR1F (0.80) HTR1FMAPTRAB9AALDH1A1MEN1
SCHEMBL7142319 0.83 HTR1F (0.67) HTR1FMAPTALDH1A1MEN1KMT2A
SCHEMBL7144495 0.83 HTR1F (0.64) HTR1FMAPTRAB9AALDH1A1MEN1
SCHEMBL7142003 0.82 HTR1F (0.71) HTR1FMAPTRAB9AALDH1A1MEN1
SCHEMBL7141981 0.82 HTR1F (0.71) HTR1FMAPTRAB9AALDH1A1MEN1
SCHEMBL7138123 0.81 HTR1F (0.71) HTR1FALDH1A1KMT2AHPGDKDM4E
SCHEMBL7655272 0.81 HTR1F (0.68) HTR1FRAB9AALDH1A1MEN1KMT2A
SCHEMBL7662432 0.81 HTR1F (0.84) HTR1FMAPTRAB9AALDH1A1MEN1

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