SCHEMBL9484814

SCHEMBL9484814

Cn1c(=O)sc2cc(C(=O)CCCO)ccc21

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.58
▸ SIGMAR1 Q99720 4/20 0.56
▸ CNR1 P21554 2/20 0.42
▸ CNR2 P34972 2/20 0.42

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
SCHEMBL9484562 0.89 SIGMAR1 (0.69) ACHESIGMAR1CNR1CNR2
SCHEMBL8785438 0.88 ACHE (0.60) ACHESIGMAR1CNR1CNR2
SCHEMBL9684507 0.88 ACHE (0.60) ACHESIGMAR1CNR1CNR2
SCHEMBL9686057 0.86 ACHE (0.61) ACHESIGMAR1CNR1CNR2
SCHEMBL9483526 0.85 ACHE (0.63) ACHESIGMAR1
SCHEMBL7760497 0.85 ACHE (0.63) ACHESIGMAR1CNR1CNR2
SCHEMBL9686069 0.83 SIGMAR1 (0.70) ACHESIGMAR1CNR1CNR2
SCHEMBL8786318 0.82 ACHE (0.56) ACHESIGMAR1CNR1CNR2
SCHEMBL9196384 0.78 ACHE (0.51) ACHESIGMAR1CNR2
SCHEMBL8620349 0.78 ACHE (0.54) ACHESIGMAR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5240949-A Analgesics, blood lipid normalizing ADIR ET COMPAGNIE (FR) 1993-08-31 — — US claimed
US-5240949-A Analgesics, blood lipid normalizing ADIR ET COMPAGNIE (FR) 1993-08-31 — — US disclosed
US-5166353-A Analgesics, anticholesterol agents, anticoagulants, antilipemic agents ADIR ET COMPAGNIE (FR) 1992-11-24 — — US disclosed
US-5162350-A Analgesics; nontoxic; side effect reduction ADIR ET COMPAGNIE (FR) 1992-11-10 — — US disclosed
US-5084469-A Analgesics ADIR ET COMPAGNIE (FR) 1992-01-28 — — US disclosed
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