SCHEMBL7140329

SCHEMBL7140329

Cc1[nH]c2ccc(NC(=O)c3ccc4ccccc4n3)cc2c1CCN(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.62
SMN1; SMN2 Q16637 8/20 0.52
RAB9A P51151 8/20 0.52
NPC1 O15118 6/20 0.52
ALDH1A1 P00352 5/20 0.52
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
NFKB1 P19838 4/20 0.47
NFKB2 Q00653 4/20 0.47
RELA Q04206 4/20 0.47
MAPT P10636 4/20 0.46
POLB P06746 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTR1A P08908 1/20 0.45
SLC6A2 P23975 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
SCHEMBL7140886 0.89 HTR1F (0.60) HTR1FSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL7146433 0.84 HTR1F (0.73) HTR1FRAB9ANPC1HTR6HTR7
SCHEMBL7138192 0.83 HTR1F (0.80) HTR1FSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL7658018 0.82 HTR1F (0.64) HTR1FRAB9ANPC1ALDH1A1HTR6
SCHEMBL7655272 0.81 HTR1F (0.68) HTR1FSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL7147525 0.80 HTR1F (0.67) HTR1FSMN1; SMN2ALDH1A1HTR6HTR7
SCHEMBL7146872 0.80 HTR1F (0.61) HTR1FALDH1A1HTR6HTR7ADRA2A
SCHEMBL7142178 0.79 HTR1F (0.71) HTR1FSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL7141199 0.79 HTR1F (0.78) HTR1FHTR6HTR7ADRA2AADRA2B
SCHEMBL7138123 0.79 HTR1F (0.71) HTR1FALDH1A1HTR6HTR7ADRA2A

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-1998006402-A1 TREATMENT OF THE COMMON COLD OR ALLERGIC RHINITIS ELI LILLY AND COMPANY (US) 1998-02-19 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