SCHEMBL8128490

SCHEMBL8128490

Cc1ccc(-c2ccc(NC(=O)N3CCc4cc(Cl)c(N5CCN(C)CC5)cc43)cc2)nn1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.66
HTR1A P08908 2/20 0.54
HTR1D P28221 2/20 0.54
HTR1B P28222 2/20 0.54
HTR2C P28335 11/20 0.52
HTR2A P28223 9/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
HTR2B P41595 4/20 0.43
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8129371 0.89 SLC2A1 (0.63) SLC2A1HTR1AHTR1DHTR1BHTR2C
SCHEMBL8118623 0.86 SLC2A1 (0.62) SLC2A1HTR1AHTR1DHTR1BHTR2C
SCHEMBL8135507 0.86 SLC2A1 (0.69) SLC2A1HTR1AHTR1DHTR1BHTR2C
SCHEMBL8131066 0.86 SLC2A1 (0.71) SLC2A1HTR1AHTR1DHTR1BHTR2C
SCHEMBL8132574 0.85 SLC2A1 (0.65) SLC2A1HTR1AHTR1DHTR1BHTR2C
SCHEMBL8132681 0.84 SLC2A1 (0.64) SLC2A1HTR1AHTR1DHTR1BHTR2C
SCHEMBL8126263 0.84 SLC2A1 (0.71) SLC2A1HTR1AHTR1DHTR1BHTR2C
SCHEMBL8156195 0.84 SLC2A1 (0.71) SLC2A1HTR1AHTR1DHTR1BHTR2C
SCHEMBL8151359 0.83 SLC2A1 (0.62) SLC2A1HTR1AHTR1DHTR1BHTR2C
SCHEMBL8126878 0.82 SLC2A1 (0.68) SLC2A1HTR1AHTR1DHTR1BHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975593-A1 INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2000-02-02 EP disclosed
WO-1998050358-A1 INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed