SCHEMBL6957657

SCHEMBL6957657

COc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)CC(N(C)C)CC4)cn1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.67
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
HTR1B P28222 2/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
MAPKAPK2 P49137 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
Formic Acid SCHEMBL6962843 0.84 HTR1F (0.67) HTR1FKMT2AMEN1SMN1; SMN2HTR1B
SCHEMBL7664459 0.83 HTR1F (0.79) HTR1FKMT2AMEN1SMN1; SMN2HTR1B
SCHEMBL7657208 0.82 HTR1F (0.72) HTR1FKMT2AMEN1SMN1; SMN2HTR1B
Hydrochloric Acid SCHEMBL6963197 0.82 HTR1F (0.68) HTR1FKMT2AMEN1SMN1; SMN2HTR1B
SCHEMBL6959010 0.81 HTR1F (0.65) HTR1FKMT2AMEN1SMN1; SMN2HTR1B
Hydrochloric Acid SCHEMBL6954125 0.81 HTR1F (0.67) HTR1FKMT2AMEN1SMN1; SMN2HTR1B
SCHEMBL7665368 0.81 HTR1F (1.00) HTR1FKMT2AMEN1SMN1; SMN2HTR1B
SCHEMBL8110900 0.81 HTR1F (1.00) HTR1FKMT2AMEN1SMN1; SMN2HTR1B
SCHEMBL7666368 0.80 HTR1F (0.69) HTR1FKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL9333438 0.80 HTR1F (0.68) HTR1FKMT2AMEN1SMN1; SMN2HTR1B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882726-B1 Carbazol-carboxamides as 5-HT1F agonists LILLY CO ELI (US) 2003-05-21 EP disclosed
US-6221884-B1 Carboxamides useful as 5-HT1F agonists ELI LILLY AND COMPANY 2001-04-24 US disclosed
EP-0882726-A1 Carbazol-carboxamides as 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-12-09 EP disclosed