SCHEMBL7010589

SCHEMBL7010589

C1=C(c2ccc3[nH]cc(CC[C@H]4CCCN4)c3c2)C[C@H]2CCCN2C1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.53
HTR1D P28221 15/20 0.46
HTR1B P28222 15/20 0.46
HTR6 P50406 2/20 0.38

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
SCHEMBL7010593 0.85 HTR1D (0.61) HTR1DHTR1B
SCHEMBL7006155 0.82 HTR1D (0.63) SLC6A4HTR1DHTR1BHTR6
SCHEMBL7006151 0.82 HTR1D (0.63) SLC6A4HTR1DHTR1BHTR6
SCHEMBL7878674 0.81 HTR6 (0.37) SLC6A4HTR6
SCHEMBL7006006 0.80 SLC6A4 (0.54) SLC6A4HTR1DHTR1BHTR6
SCHEMBL6971173 0.77 SLC6A4 (0.60) SLC6A4HTR1DHTR1BHTR6
SCHEMBL7011873 0.77 HTR1B (0.62) HTR1DHTR1B
SCHEMBL7005968 0.77 HTR1B (0.62) HTR1DHTR1B
SCHEMBL7010803 0.77 HTR1B (0.62) HTR1DHTR1B
SCHEMBL7008355 0.77 HTR1B (0.62) HTR1DHTR1B

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 6 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
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