SCHEMBL8208554

SCHEMBL8208554

COc1ccc(C(=O)n2cc(CC3CCCN3C)c3ccccc32)cc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.64
KMT2A Q03164 1/20 0.52
DRD1 P21728 1/20 0.48
HRH2 P25021 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
OPRK1 P41145 1/20 0.48
HTR2B P41595 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL8213128 1.00 HTR6 (0.64) HTR6KMT2ADRD1HRH2HTR2A
SCHEMBL8208580 0.90 HTR6 (0.62) HTR6
SCHEMBL8208586 0.90 HTR6 (0.62) HTR6
SCHEMBL8213326 0.88 HTR6 (0.56) HTR6KMT2A
SCHEMBL8200923 0.88 HTR6 (0.56) HTR6KMT2A
SCHEMBL8201592 0.87 AKR1C3 (0.56) HTR6
SCHEMBL8201597 0.87 AKR1C3 (0.56) HTR6
SCHEMBL8209082 0.84 HTR6 (0.55) HTR6DRD1HRH2HTR2AHTR2C
SCHEMBL8209078 0.84 HTR6 (0.55) HTR6DRD1HRH2HTR2AHTR2C
SCHEMBL8213328 0.79 HTR6 (0.55) HTR6

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
US-6100291-A FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-08-08 US claimed
WO-1999047516-A1 3-(2-PYRROLIDINYLMETHYL)-INDOLE COMPOUNDS HAVING 5-HT6 AFFINITY SLASSI ABDELMALIK (CA) 1999-09-23 WO claimed
US-6100291-A FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-08-08 US disclosed
WO-1999047516-A1 3-(2-PYRROLIDINYLMETHYL)-INDOLE COMPOUNDS HAVING 5-HT6 AFFINITY SLASSI ABDELMALIK (CA) 1999-09-23 WO disclosed