SCHEMBL7006768

SCHEMBL7006768

CN1CC=C(c2cn([Si](C)(C)C(C)(C)C)c3ccc([C@@]4(O)CCN5CCC[C@H]5C4)cc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.40
SCN9A Q15858 1/20 0.30
CCR1 P32246 2/20 0.30

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
SCHEMBL7010984 0.77 SLC6A4 (0.53)
SCHEMBL7006099 0.77 SLC6A4 (0.53)
SCHEMBL7013305 0.77 HTR6 (0.39) HTR6
SCHEMBL7010382 0.77 HTR6 (0.39) HTR6
SCHEMBL7010274 0.73 HTR6 (0.37) HTR6
SCHEMBL7008847 0.73 SLC6A4 (0.51) HTR6
SCHEMBL6997445 0.69 HTR6 (0.36) HTR6
SCHEMBL6997441 0.69 HTR6 (0.36) HTR6
SCHEMBL7006323 0.62 CYP1A2 (0.55)
SCHEMBL6965518 0.62 SLC6A4 (0.65) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098896-B1 5-BICYCLOINDOLE COMPOUNDS NPS ALLELIX CORP (CA) 2003-06-25 EP disclosed