SCHEMBL7143357

SCHEMBL7143357

Nc1ccc(NNC(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.65
ALDH1A1 P00352 4/20 0.65
LMNA P02545 3/20 0.65
TDP1 Q9NUW8 4/20 0.61
PTGS2 P35354 5/20 0.56
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
POLB P06746 2/20 0.55
PKM P14618 1/20 0.55
APEX1 P27695 1/20 0.55
MAPT P10636 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
ALOX12 P18054 1/20 0.53
KDM4E B2RXH2 1/20 0.51
GFER P55789 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
Hydrochloric Acid SCHEMBL11695801 0.98 GAA (0.63) GAAALDH1A1LMNATDP1PTGS2
SCHEMBL27389992 0.82 PTGS2 (0.75) GAAALDH1A1LMNATDP1PTGS2
SCHEMBL9829474 0.82 PTGS2 (0.75) GAAALDH1A1LMNATDP1PTGS2
SCHEMBL16741759 0.82 MEN1 (0.81) LMNATDP1KMT2AMEN1POLB
SCHEMBL684117 0.82 MEN1 (0.81) LMNATDP1KMT2AMEN1POLB
SCHEMBL11142311 0.82 PTGS2 (0.75) GAAALDH1A1LMNATDP1PTGS2
SCHEMBL1663276 0.81 MEN1 (0.73) LMNATDP1KMT2AMEN1POLB
Hydrochloric Acid SCHEMBL11683557 0.81 PTGS2 (0.80) GAAALDH1A1LMNATDP1PTGS2
SCHEMBL28871809 0.79 ALDH1A1 (0.60) GAAALDH1A1LMNATDP1PTGS2
SCHEMBL22323507 0.79 TRPV1 (0.56) GAAALDH1A1LMNATDP1PTGS2

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 11 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
US-5962473-A Methods of treating or ameliorating the symptoms of common cold or allergic rhinitis with serotonin 5-HT1F ELI LILLY AND COMPANY (US) 1999-10-05 US disclosed
US-5942536-A USEFUL FOR TREATING MIGRAINE ELI LILLY AND COMPANY (US) 1999-08-24 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
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