SCHEMBL7146378

SCHEMBL7146378

Cc1[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc2c1CCNCc1sc2ccccc2c1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 3/20 0.59
MAPT P10636 5/20 0.50
STK17B O94768 1/20 0.43
STK17A Q9UEE5 1/20 0.43
HDAC3 O15379 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC2 Q92769 3/20 0.43
NCOR2 Q9Y618 2/20 0.43
SNCA P37840 1/20 0.42
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
BRD4 O60885 1/20 0.41
SENP5 Q96HI0 1/20 0.40
SENP2 Q9HC62 1/20 0.40
SENP1 Q9P0U3 1/20 0.40
F10 P00742 1/20 0.40
HASPIN Q8TF76 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 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
SCHEMBL7143651 0.80 HTR1F (0.59) HTR1FMAPTSTK17BSTK17AHDAC3
SCHEMBL7144206 0.80 HTR1F (0.62) HTR1FMAPTSTK17BSTK17AHDAC3
SCHEMBL7141265 0.79 HTR1F (0.76) HTR1FMAPTSTK17BSTK17ASNCA
SCHEMBL7139432 0.79 HTR1F (0.61) HTR1FMAPTSTK17BSTK17AHDAC3
SCHEMBL7144295 0.78 HTR1F (0.61) HTR1FMAPTSNCAKMT2ASMN1; SMN2
SCHEMBL7145129 0.78 HTR1F (0.62) HTR1FMAPTSTK17BSTK17AHDAC3
SCHEMBL7142217 0.78 HTR1F (0.62) HTR1FMAPTSTK17BSTK17AHDAC3
SCHEMBL7142320 0.78 HTR1F (0.62) HTR1FMAPTSTK17BSTK17AHDAC3
SCHEMBL7141051 0.77 HTR1F (0.71) HTR1FMAPTSTK17BSTK17ASNCA
SCHEMBL7144554 0.76 HTR1F (0.77) HTR1FMAPTSTK17BSTK17ASNCA

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