SCHEMBL7142320

SCHEMBL7142320

Cc1[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc2c1CCNCc1ccc(CO)o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 3/20 0.62
MAPT P10636 6/20 0.48
HTR2A P28223 2/20 0.45
HTR7 P34969 2/20 0.45
HTR6 P50406 2/20 0.45
DRD2 P14416 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SNCA P37840 1/20 0.42
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
STK17B O94768 1/20 0.40
STK17A Q9UEE5 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39

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
SCHEMBL7144206 0.86 HTR1F (0.62) HTR1FMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7142217 0.82 HTR1F (0.62) HTR1FMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7141265 0.82 HTR1F (0.76) HTR1FMAPTHTR2AHTR7HTR6
SCHEMBL7141051 0.80 HTR1F (0.71) HTR1FMAPTHTR2AHTR7HTR6
SCHEMBL7144295 0.79 HTR1F (0.61) HTR1FMAPTHTR2AHTR7HTR6
SCHEMBL7144554 0.79 HTR1F (0.77) HTR1FMAPTHTR2AHTR7HTR6
SCHEMBL7139432 0.78 HTR1F (0.61) HTR1FMAPTHTR2AHTR7HTR6
SCHEMBL7146378 0.78 HTR1F (0.59) HTR1FMAPTHTR2AHTR7HTR6
SCHEMBL7143651 0.78 HTR1F (0.59) HTR1FMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7143303 0.77 HTR1F (1.00) HTR1FMAPTHTR2AHTR7HTR6

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 6 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
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