SCHEMBL6529419

SCHEMBL6529419

NC1CCc2[nH]c3ccc(Cl)cc3c2C1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 5/20 0.65
HTR1D P28221 4/20 0.65
NR2E1 Q9Y466 1/20 0.64
HTR6 P50406 1/20 0.58
SIRT1 Q96EB6 8/20 0.55
EGFR P00533 1/20 0.52
IGF1R P08069 1/20 0.52
FLT4 P35916 1/20 0.52
KDR P35968 1/20 0.52
SIRT2 Q8IXJ6 3/20 0.46
SIRT3 Q9NTG7 2/20 0.46
BAZ2B Q9UIF8 1/20 0.46
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HTR1A P08908 1/20 0.43

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
SCHEMBL6529421 1.00 HTR1B (0.65) HTR1BHTR1DNR2E1HTR6SIRT1
Oxalic Acid SCHEMBL7543349 0.92 HTR1B (0.66) HTR1BHTR1DNR2E1HTR6SIRT1
SCHEMBL15281767 0.84 HTR1B (0.67) HTR1BHTR1DNR2E1HTR6SIRT1
SCHEMBL14624295 0.84 HTR1B (0.67) HTR1BHTR1DNR2E1HTR6SIRT1
SCHEMBL24408213 0.82 HTR1B (0.67) HTR1BHTR1DNR2E1HTR6SIRT1
SCHEMBL7409510 0.82 SIRT1 (0.55) HTR1BHTR1DSIRT1SIRT2SIRT3
SCHEMBL23657201 0.82 KMT2A (0.64) HTR1BHTR1DSIRT1BAZ2BKMT2A
SCHEMBL9336395 0.82 HTR1B (0.65) HTR1BHTR1DNR2E1HTR6SIRT1
SCHEMBL24408397 0.82 HTR1B (0.67) HTR1BHTR1DNR2E1HTR6SIRT1
SCHEMBL9334201 0.82 HTR1B (0.69) HTR1BHTR1DNR2E1HTR6EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0603432-A1 Tetrahydrocarbazole derivatives for the manufacture of a medicament for the treatment of a disease where a 5-HT1-like agonist is indicated SMITHKLINE BEECHAM PLC (GB) 1994-06-29 EP claimed
EP-0591280-A1 USE OF TETRAHYDROCARBAZOLE DERIVATIVES AS 5HT1-RECEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-04-13 EP claimed
WO-1993000086-A1 USE OF TETRAHYDROCARBAZONE DERIVATIVES AS 5HT1 RECEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-01-07 WO claimed
WO-2005033099-A2 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS; PROCESSES FOR THEIR PREPARATION AND COMPOSITIONS THEREOF GLENMARK PHARMACEUTICALS LTD. (US) 2005-04-14 WO disclosed