SCHEMBL23130246

SCHEMBL23130246

C#CCCC(=O)N[C@H]1Cc2cccc(C(=O)OCOC(=O)CC)c2OB1O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ MTNR1A P48039 2/20 0.31
▸ MTNR1B P49286 2/20 0.31
▸ TSHR P16473 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
SCHEMBL23130245 1.00 DRD2 (0.32) DRD2GRM5MTNR1AMTNR1BTSHR
SCHEMBL17347812 0.92 MTNR1A (0.31) DRD2GRM5MTNR1AMTNR1B
SCHEMBL17337282 0.91 TDP1 (0.36) DRD2GRM5MTNR1AMTNR1BTSHR
SCHEMBL17337279 0.91 TDP1 (0.36) DRD2GRM5MTNR1AMTNR1BTSHR
SCHEMBL17337247 0.90 PRKCB (0.32) —
SCHEMBL17337244 0.90 PRKCB (0.32) —
SCHEMBL23130266 0.90 MEN1 (0.32) —
SCHEMBL17347807 0.90 MEN1 (0.32) —
SCHEMBL17347682 0.88 TRPA1 (0.34) DRD2GRM5MTNR1AMTNR1B
SCHEMBL23130265 0.88 TSHR (0.39) DRD2GRM5MTNR1AMTNR1BTSHR

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-3154989-B1 BETA-LACTAMASE INHIBITORS VENATORX PHARMACEUTICALS INC (US) 2021-03-24 — — EP disclosed
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