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Sugi Predict / Compounds / SCHEMBL7006286

SCHEMBL7006286

SCHEMBL7006286

CN1CCC[C@H]1Cc1c[nH]c2ccc([C@@]3(O)CCN4CCC[C@H]4C3)cc12

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 7/20 0.58
▸ HTR1D P28221 5/20 0.58
▸ HTR1A P08908 2/20 0.55
▸ HTR6 P50406 7/20 0.53
▸ NOS3 P29474 4/20 0.51
▸ NOS1 P29475 4/20 0.51

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
SCHEMBL7006270 1.00 HTR1B (0.58) HTR1BHTR1DHTR1AHTR6NOS3
SCHEMBL7005001 0.82 HTR1A (0.47) HTR1BHTR1DHTR1AHTR6
SCHEMBL7006323 0.79 CYP1A2 (0.55) HTR1BHTR1DHTR1ANOS3NOS1
SCHEMBL7013305 0.77 HTR6 (0.39) HTR1BHTR1DHTR6NOS3NOS1
SCHEMBL7010382 0.77 HTR6 (0.39) HTR1BHTR1DHTR6NOS3NOS1
SCHEMBL8879229 0.75 HTR1B (0.76) HTR1BHTR1DHTR1AHTR6NOS3
SCHEMBL7464637 0.75 HTR1B (0.76) HTR1BHTR1DHTR1AHTR6NOS3
SCHEMBL8880205 0.75 HTR1B (0.76) HTR1BHTR1DHTR1AHTR6NOS3
SCHEMBL7006135 0.75 HTR1B (0.62) HTR1BHTR1DHTR1AHTR6NOS3
SCHEMBL7010984 0.75 SLC6A4 (0.53) NOS3NOS1

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 2 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