SCHEMBL23837445

SCHEMBL23837445

C=C(CCCC(=O)C(C)(C)C)c1cccc2c1CBC(NC(=O)CCCS(N)(=O)=O)C2

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 1/20 0.31

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
SCHEMBL23837498 0.78 MTNR1A (0.36) —
SCHEMBL23837525 0.77 — —
SCHEMBL23837411 0.74 — —
SCHEMBL23837568 0.71 MTNR1A (0.32) —
SCHEMBL23837573 0.71 MTNR1A (0.38) —
SCHEMBL23837563 0.71 MTNR1A (0.37) —
SCHEMBL23837490 0.70 HTR1A (0.34) —
SCHEMBL18966772 0.70 — —
SCHEMBL18966977 0.70 — —
SCHEMBL23837515 0.69 MTNR1A (0.37) —

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-3882252-A1 BETA-LACTAMASE INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2021-09-22 — — EP disclosed
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