SCHEMBL7010593

SCHEMBL7010593

C1=C(c2ccc3[nH]cc(CCN4CCCC4)c3c2)C[C@@H]2CCCN2C1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 18/20 0.61
HTR1B P28222 18/20 0.61
MPO P05164 1/20 0.52
BRD4 O60885 1/20 0.52

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
SCHEMBL7006155 0.85 HTR1D (0.63) HTR1DHTR1BMPO
SCHEMBL7006151 0.85 HTR1D (0.63) HTR1DHTR1BMPO
SCHEMBL7010589 0.85 SLC6A4 (0.53) HTR1DHTR1B
SCHEMBL7005968 0.82 HTR1B (0.62) HTR1DHTR1B
SCHEMBL7011873 0.82 HTR1B (0.62) HTR1DHTR1B
SCHEMBL7010803 0.82 HTR1B (0.62) HTR1DHTR1B
SCHEMBL7008355 0.82 HTR1B (0.62) HTR1DHTR1B
SCHEMBL7006008 0.79 HTR1D (0.62) HTR1DHTR1BMPOBRD4
SCHEMBL6973429 0.78 HTR1D (0.73) HTR1DHTR1B
SCHEMBL7007800 0.76 SLC6A4 (0.59)

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