SCHEMBL9499593

SCHEMBL9499593

NC(=O)NCC1CCCc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.65
KDM4C Q9H3R0 3/20 0.52
KDM5A P29375 2/20 0.52
KDM5B Q9UGL1 2/20 0.52
PDPK1 O15530 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HTT P42858 2/20 0.47
TRPV1 Q8NER1 1/20 0.46
PARP1 P09874 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45

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
SCHEMBL9499994 0.91 HTR6 (0.54) HTR6MTNR1AMTNR1B
SCHEMBL1568036 0.87 KDM4C (0.53) HTR6KDM4CKDM5AKDM5BPDPK1
SCHEMBL12428550 0.85 HTR6 (0.49) HTR6KDM4CKDM5AKDM5BPDPK1
SCHEMBL30572310 0.80 BLM (0.50) KDM4CKDM5AKDM5BALDH1A1HTT
SCHEMBL1725811 0.80 BLM (0.50) KDM4CKDM5AKDM5BALDH1A1HTT
SCHEMBL315083 0.79 HTR6 (1.00) HTR6
SCHEMBL316069 0.79 HTR6 (1.00) HTR6
SCHEMBL20662842 0.79 TAS1R3 (0.64) HTR6KDM4CKDM5AKDM5BPDPK1
SCHEMBL1567238 0.77 MTNR1A (0.55) HTR6KDM4CKDM5AKDM5BMTNR1A
SCHEMBL1567241 0.77 MTNR1A (0.55) HTR6KDM4CKDM5AKDM5BMTNR1A

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-0335375-B1 ANTIHYPERLIPIDEMIC AND ANTIATHEROSCLEROTIC COMPOUNDS AND COMPOSITIONS WARNER-LAMBERT COMPANY (US) 1993-06-09 EP claimed
EP-0335375-B1 ANTIHYPERLIPIDEMIC AND ANTIATHEROSCLEROTIC COMPOUNDS AND COMPOSITIONS WARNER-LAMBERT COMPANY (US) 1993-06-09 EP disclosed