SCHEMBL6977809

SCHEMBL6977809

CC(C)N1Cc2cc(S(C)(=O)=O)ccc2N(CCN2CCC(c3c[nH]c4cc(F)ccc34)CC2)S1(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.51
SLC6A4 P31645 3/20 0.51
ADRA1D P25100 3/20 0.48
ADRA1B P35368 1/20 0.48
HTR2A P28223 5/20 0.47
HTR7 P34969 3/20 0.47
KCNH2 Q12809 3/20 0.47
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR1A P08908 3/20 0.40
DRD1 P21728 1/20 0.40
HTR2C P28335 1/20 0.40
DRD3 P35462 1/20 0.40
HTR6 P50406 1/20 0.40

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
SCHEMBL6980903 0.91 CTSS (0.40) DRD2SLC6A4ADRA1DADRA1BHTR2A
SCHEMBL6494165 0.90 HTR1D (0.46) DRD2SLC6A4ADRA1DADRA1BHTR2A
SCHEMBL6493513 0.90 HTR1D (0.46) DRD2SLC6A4ADRA1DADRA1BHTR2A
SCHEMBL8316466 0.88 ADRA1D (0.57) DRD2SLC6A4ADRA1DADRA1BHTR2A
SCHEMBL6979112 0.87 DRD2 (0.50) DRD2SLC6A4ADRA1DADRA1BHTR2A
SCHEMBL6984070 0.87 DRD2 (0.35) DRD2SLC6A4ADRA1DADRA1BHTR2A
SCHEMBL6984714 0.87 HTR6 (0.35) DRD2SLC6A4ADRA1DADRA1BHTR2A
SCHEMBL8311584 0.84 ADRA1D (0.52) DRD2SLC6A4ADRA1DADRA1BHTR2A
SCHEMBL2877415 0.82 SLC6A4 (0.58) DRD2SLC6A4ADRA1DADRA1BHTR2A
SCHEMBL6501558 0.78 HTR1D (0.34) HTR1D

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-1131321-B1 INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS LILLY CO ELI (GB) 2003-09-10 EP disclosed
US-6329366-B1 HETEROCYCLIC, PIPERIDINE, INDOLE DERIVITIVES FOR TREATMENT OF NERVOUS SYSTEM DISORDERS AND SEROTONIN ANTAGONIST ELI LILLY AND COMPANY LIMITED (GB) 2001-12-11 US disclosed