SCHEMBL27279443

SCHEMBL27279443

CC(C)c1cccc2c1OC(C(C)C)C(C=O)N2

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.31
▸ MTNR1B P49286 2/20 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
SCHEMBL27275777 0.84 BRD4 (0.40) MTNR1AMTNR1B
SCHEMBL27609184 0.80 GABRA1 (0.32) MTNR1AMTNR1B
SCHEMBL27276156 0.77 MTNR1A (0.36) MTNR1AMTNR1B
SCHEMBL69971 0.72 GABRA1 (0.36) MTNR1AMTNR1B
SCHEMBL27280283 0.68 USP2 (0.32) —
SCHEMBL27275776 0.68 GAA (0.40) —
SCHEMBL10358533 0.67 BRD4 (0.41) —
SCHEMBL4898103 0.67 BRD4 (0.41) —
SCHEMBL27276883 0.67 PGR (0.30) —
SCHEMBL27281075 0.67 AKR1B1 (0.32) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1020098-C Production for thiolactam-N-acetic acid derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-03-17 — — CN disclosed
CN-87102891-A Production and use of sulfurized lactam-N-acetic acid derivatives — 1987-11-04 — — CN disclosed
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