Sugi Predict

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SCHEMBL9034795

SCHEMBL9034795

O=C[C@@H]1C[C@H](SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC6A1 P30531 1/20 0.35
▸ SLC6A11 P48066 1/20 0.35
▸ PLA2G4A P47712 2/20 0.34
▸ PLA2G6 O60733 1/20 0.34
▸ CHRM3 P20309 4/20 0.33
▸ CHRM2 P08172 2/20 0.33
▸ CHRM1 P11229 2/20 0.33
▸ KIF11 P52732 8/20 0.33
▸ AGTR2 P50052 1/20 0.32
▸ RIPK1 Q13546 1/20 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
SCHEMBL9033488 1.00 SLC6A1 (0.35) SLC6A1SLC6A11PLA2G4APLA2G6CHRM3
SCHEMBL9033483 1.00 SLC6A1 (0.35) SLC6A1SLC6A11PLA2G4APLA2G6CHRM3
SCHEMBL8390205 0.85 GPR119 (0.39) —
SCHEMBL8201900 0.85 GPR119 (0.39) —
SCHEMBL8211858 0.85 GPR119 (0.39) —
SCHEMBL9034741 0.85 GPR119 (0.39) —
SCHEMBL9198124 0.82 CHRM1 (0.40) SLC6A1SLC6A11CHRM1AGTR2
SCHEMBL9034390 0.81 AGTR2 (0.43) SLC6A1SLC6A11AGTR2
SCHEMBL9034394 0.81 AGTR2 (0.43) SLC6A1SLC6A11AGTR2
SCHEMBL9035380 0.81 AGTR2 (0.43) SLC6A1SLC6A11AGTR2

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-0696593-A2 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 1996-02-14 — — EP disclosed