SCHEMBL7006006

SCHEMBL7006006

C1=C(c2ccc3[nH]cc(CC[C@H]4CCCN4)c3c2)CCN2CCC[C@H]12

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.54
HTR1D P28221 10/20 0.46
HTR1B P28222 10/20 0.46
HTR6 P50406 4/20 0.39
BRD4 O60885 1/20 0.37

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
SCHEMBL7006008 0.84 HTR1D (0.62) HTR1DHTR1BBRD4
SCHEMBL7008663 0.82 HTR1D (0.61) SLC6A4HTR1DHTR1BHTR6
SCHEMBL7008669 0.82 HTR1D (0.61) SLC6A4HTR1DHTR1BHTR6
SCHEMBL7010589 0.80 SLC6A4 (0.53) SLC6A4HTR1DHTR1BHTR6
SCHEMBL7872432 0.80 JAK2 (0.35) SLC6A4
SCHEMBL6971173 0.78 SLC6A4 (0.60) SLC6A4HTR1DHTR1BHTR6
SCHEMBL7011467 0.77 HTR1B (0.61) HTR1DHTR1BHTR6
SCHEMBL7006019 0.77 HTR1B (0.61) HTR1DHTR1BHTR6
SCHEMBL7012887 0.77 HTR1B (0.61) HTR1DHTR1BHTR6
SCHEMBL7012884 0.77 HTR1B (0.61) HTR1DHTR1BHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098896-B1 5-BICYCLOINDOLE COMPOUNDS NPS ALLELIX CORP (CA) 2003-06-25 EP claimed
EP-1098896-A1 5-BICYCLOINDOLE COMPOUNDS NPS Allelix Corp. (CA) 2001-05-16 EP claimed
WO-2000004019-A1 5-BICYCLOINDOLE COMPOUNDS ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-01-27 WO claimed
EP-1098896-B1 5-BICYCLOINDOLE COMPOUNDS NPS ALLELIX CORP (CA) 2003-06-25 EP disclosed
US-6329390-B1 BIHETEROCYCLIC INDOLES AS ANALGESICS AND NERVOUS SYSTEM DISORDERS NPS ALLELIX CORP. (CA) 2001-12-11 US disclosed
EP-1098896-A1 5-BICYCLOINDOLE COMPOUNDS NPS Allelix Corp. (CA) 2001-05-16 EP disclosed
WO-2000004019-A1 5-BICYCLOINDOLE COMPOUNDS ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-01-27 WO disclosed