SCHEMBL10363304

SCHEMBL10363304

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1C(=O)O)C(=O)NCC(N)=O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 11/20 0.52
▸ CMA1 P23946 1/20 0.44
▸ ATM Q13315 1/20 0.43
▸ ITGB3 P05106 1/20 0.43
▸ ITGB1 P05556 1/20 0.43
▸ ITGAV P06756 1/20 0.43
▸ ITGA5 P08648 1/20 0.43
▸ ITGA4 P13612 1/20 0.43
▸ CFD P00746 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL10362476 0.92 TACR1 (0.53) TACR1ATMCFDMEN1KMT2A
SCHEMBL10364251 0.89 TACR1 (0.57) TACR1CMA1ATMITGB3ITGB1
SCHEMBL10748217 0.89 TACR1 (0.51) TACR1ATMMEN1KMT2A
SCHEMBL1372348 0.81 CTRB1 (0.57) MEN1KMT2A
SCHEMBL1372342 0.81 CTRB1 (0.57) MEN1KMT2A
SCHEMBL10362638 0.81 TACR1 (0.57) TACR1ATMCFDMEN1KMT2A
SCHEMBL10748595 0.79 TACR1 (0.64) TACR1CMA1
SCHEMBL1371614 0.79 CAPN1 (0.45) KMT2A
SCHEMBL1371611 0.79 CAPN1 (0.45) KMT2A
SCHEMBL10784995 0.79 CTRB1 (0.54) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0147211-B1 4H-3,1-BENZOXAZIN-4-ONES AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION SYNTEX (U.S.A.) INC. (US) 1990-09-12 — — EP disclosed
US-4657893-A ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) INC. (US) 1987-04-14 — — US disclosed
EP-0147211-A2 4H-3,1-benzoxazin-4-ones and related compounds, pharmaceutical compositions containing them, and processes for their preparation SYNTEX (U.S.A.) INC. (US) 1985-07-03 — — EP disclosed
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