SCHEMBL7146368

SCHEMBL7146368

CCCCN(CCCC)S(=O)(=O)Nc1ccc2[nH]c(C)c(CCN(C)Cc3ncc([N+](=O)[O-])cn3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR1F P30939 1/20 0.37
MAPT P10636 6/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 2/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 4/20 0.33
POLB P06746 1/20 0.33
HTR7 P34969 2/20 0.33
HTR6 P50406 2/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL8549583 0.84 HIF1A (0.39) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL8694248 0.84 MAPT (0.33) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL7140896 0.69 POLB (0.34) ALDH1A1HPGDHTR1FMAPTKMT2A
SCHEMBL7143041 0.69 POLB (0.34) ALDH1A1HPGDKDM4EMAPTKMT2A
Acetic Acid SCHEMBL7142201 0.68 BRD4 (0.43) ALDH1A1HPGDKDM4EHSD17B10CYP1A2
SCHEMBL7141725 0.68 ROCK2 (0.43) ALDH1A1KDM4EHTR1FMAPTKMT2A
SCHEMBL7144303 0.67 BRD4 (0.43) ALDH1A1HPGDKDM4EHSD17B10CYP1A2
SCHEMBL8589137 0.65 HTR6 (0.61) ALDH1A1KDM4EHTR1FMAPTKMT2A
SCHEMBL9400712 0.65 KCNH2 (0.63) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL7146842 0.65 BRD4 (0.47) MAPTHTR7HTR6HTTADRA2A

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 7 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-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-5942536-A USEFUL FOR TREATING MIGRAINE ELI LILLY AND COMPANY (US) 1999-08-24 US 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