SCHEMBL23130304

SCHEMBL23130304

C=C(OCOC(=O)c1cccc2c1CB[C@@H](NC(C)=O)C2)C(CC)CC

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 3/20 0.34
▸ MTNR1B P49286 3/20 0.34
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ ACHE P22303 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
SCHEMBL23130217 0.85 MTNR1A (0.31) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL23837563 0.77 MTNR1A (0.37) MTNR1AMTNR1B
SCHEMBL23837439 0.76 MTNR1A (0.33) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL18966871 0.76 TRPA1 (0.35) MTNR1AMTNR1B
SCHEMBL23837583 0.74 TSHR (0.35) —
SCHEMBL23837590 0.74 ALDH1A1 (0.39) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL23837480 0.72 KMT2A (0.34) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL23837525 0.71 — —
SCHEMBL23130014 0.70 L3MBTL1 (0.38) MTNR1AMTNR1B
SCHEMBL18966750 0.69 MTNR1A (0.32) MTNR1AMTNR1B

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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