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Sugi Predict / Compounds / SCHEMBL8333459

SCHEMBL8333459

SCHEMBL8333459

CC(C)C[C@H](NC(=O)[C@H](C)N1C(=O)CCC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N([N+]=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PSMB9 P28065 4/20 0.47
▸ TACR1 P25103 8/20 0.46
▸ REN P00797 2/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ XIAP P98170 1/20 0.43

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
SCHEMBL9540221 0.92 TACR1 (0.48) TACR1
SCHEMBL7351756 0.82 TACR1 (0.52) TACR1SLC6A2
SCHEMBL1289940 0.80 CMA1 (0.54) TACR1SLC6A2XIAP
SCHEMBL7213508 0.80 TACR1 (0.49) TACR1SLC6A2XIAP
SCHEMBL7410732 0.80 ELANE (0.43) XIAP
SCHEMBL8664555 0.80 TACR1 (0.48) TACR1SLC6A2XIAP
SCHEMBL7048929 0.80 TACR1 (0.51) PSMB9TACR1REN
SCHEMBL7874280 0.78 EPHA2 (0.43) —
SCHEMBL5063463 0.76 OPRM1 (0.45) PSMB9TACR1XIAP
SCHEMBL30945872 0.76 DPP3 (0.62) RENSLC6A2XIAP

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-0749443-A4 FK-506 CYTOSOLIC BINDING PROTEIN MERCK & CO INC (US) 1999-11-17 — — EP disclosed
EP-0749443-A1 FK-506 CYTOSOLIC BINDING PROTEIN MERCK & CO. INC. (US) 1996-12-27 — — EP disclosed
WO-1995021861-A1 FK-506 CYTOSOLIC BINDING PROTEIN MERCK & CO., INC. (US) 1995-08-17 — — WO disclosed