Sugi Predict

Sugi Predict / Compounds / SCHEMBL7013305

SCHEMBL7013305

SCHEMBL7013305

CN1CCC[C@@H]1Cc1cn([Si](C)(C)C(C)(C)C)c2ccc([C@@]3(O)CCN4CCC[C@H]4C3)cc12

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 14/20 0.39
▸ HTR1D P28221 2/20 0.34
▸ HTR1B P28222 2/20 0.34
▸ NOS3 P29474 2/20 0.32
▸ NOS1 P29475 2/20 0.32

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
SCHEMBL7010382 1.00 HTR6 (0.39) HTR6HTR1DHTR1BNOS3NOS1
SCHEMBL7010274 0.81 HTR6 (0.37) HTR6
SCHEMBL7006270 0.77 HTR1B (0.58) HTR6HTR1DHTR1BNOS3NOS1
SCHEMBL7006286 0.77 HTR1B (0.58) HTR6HTR1DHTR1BNOS3NOS1
SCHEMBL7012792 0.77 HTR6 (0.44) HTR6HTR1DHTR1B
SCHEMBL7010546 0.77 HTR6 (0.44) HTR6HTR1DHTR1B
SCHEMBL7010544 0.77 HTR6 (0.44) HTR6HTR1DHTR1B
SCHEMBL8979687 0.62 HTR6 (0.43) HTR6HTR1DHTR1B
SCHEMBL7006323 0.62 CYP1A2 (0.55) HTR1DHTR1BNOS3NOS1
SCHEMBL7005001 0.62 HTR1A (0.47) HTR6HTR1DHTR1B

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
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