SCHEMBL9334201

SCHEMBL9334201

Cc1ccc2[nH]c3c(c2c1)CC(N)CC3

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 4/20 0.69
HTR1D P28221 3/20 0.69
NR2E1 Q9Y466 1/20 0.64
HTR6 P50406 1/20 0.58
EGFR P00533 1/20 0.52
IGF1R P08069 1/20 0.52
FLT4 P35916 1/20 0.52
KDR P35968 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
RB1 P06400 4/20 0.49
ACHE P22303 3/20 0.47
GRIN1 Q05586 3/20 0.47
GRIN2A Q12879 3/20 0.47
GRIN2D O15399 2/20 0.47
GRIN3B O60391 2/20 0.47
GRIN2B Q13224 2/20 0.47
GRIN2C Q14957 2/20 0.47
GRIN3A Q8TCU5 2/20 0.47
BAZ2B Q9UIF8 1/20 0.47
KMT2A Q03164 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
Oxalic Acid SCHEMBL7540449 0.92 HTR1B (0.66) HTR1BHTR1DNR2E1HTR6EGFR
SCHEMBL15281767 0.84 HTR1B (0.67) HTR1BHTR1DNR2E1HTR6EGFR
SCHEMBL14624295 0.84 HTR1B (0.67) HTR1BHTR1DNR2E1HTR6EGFR
SCHEMBL11576749 0.84 KMT2A (0.65) HTR1BHTR1DL3MBTL1RB1ACHE
SCHEMBL24408397 0.82 HTR1B (0.67) HTR1BHTR1DNR2E1HTR6EGFR
SCHEMBL833781 0.82 HTR1B (0.65) HTR1BHTR1DNR2E1HTR6EGFR
SCHEMBL6529419 0.82 HTR1B (0.65) HTR1BHTR1DNR2E1HTR6EGFR
SCHEMBL24408213 0.82 HTR1B (0.67) HTR1BHTR1DNR2E1HTR6EGFR
SCHEMBL6529421 0.82 HTR1B (0.65) HTR1BHTR1DNR2E1HTR6EGFR
SCHEMBL9336395 0.82 HTR1B (0.65) 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 3 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