SCHEMBL6958366

SCHEMBL6958366

CN(C)C1CCc2[nH]c3ccc(C(=O)NC4CCCC4)cc3c2C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.63
RAB9A P51151 3/20 0.56
KMT2A Q03164 2/20 0.54
HTR1B P28222 3/20 0.53
HTR1A P08908 2/20 0.53
HTR1D P28221 1/20 0.53
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
HTR1E P28566 1/20 0.47
HTR7 P34969 1/20 0.47
OPRM1 P35372 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
TP53 P04637 1/20 0.47
CASP1 P29466 1/20 0.47

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
SCHEMBL6952620 0.96 HTR1F (0.66) HTR1FRAB9AKMT2AHTR1BHTR1A
SCHEMBL9333438 0.87 HTR1F (0.68) HTR1FRAB9AKMT2AHTR1BHTR1A
SCHEMBL6950544 0.86 KMT2A (0.72) HTR1FRAB9AKMT2AHTR1BHTR1A
Oxalic Acid SCHEMBL6959601 0.84 KMT2A (0.51) HTR1FRAB9AKMT2AHTR1BHTR1A
Oxalic Acid SCHEMBL9334173 0.84 HTR1F (0.64) HTR1FRAB9AKMT2AHTR1BHTR1A
SCHEMBL7657715 0.83 HTR1F (0.69) HTR1FRAB9AKMT2AHTR1BHTR1A
Hydrochloric Acid SCHEMBL6963197 0.81 HTR1F (0.68) HTR1FRAB9AKMT2AHTR1BHTR1A
SCHEMBL6965193 0.81 HTR1A (0.56) RAB9AKMT2AHTR1BHTR1AHTR1D
Hydrochloric Acid SCHEMBL6954125 0.80 HTR1F (0.67) HTR1FRAB9AKMT2AHTR1BHTR1A
SCHEMBL7408877 0.80 HTR1F (0.59) HTR1FRAB9AKMT2AHTR1BHTR1A

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