SCHEMBL8273361

SCHEMBL8273361

C[C@@H]1CN(c2ccccc2N)CCC1CNC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 10/20 0.54
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ NAMPT P43490 2/20 0.35
▸ ADAM10 O14672 1/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ DPP8 Q6V1X1 5/20 0.34
▸ DPP9 Q86TI2 5/20 0.34
▸ DPP7 Q9UHL4 5/20 0.34
▸ DPP4 P27487 3/20 0.34

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
SCHEMBL8273441 1.00 ADAM17 (0.54) ADAM17MEN1KMT2AUSP2GAA
SCHEMBL8217820 0.88 ADAM17 (0.70) ADAM17NAMPT
SCHEMBL8217827 0.88 ADAM17 (0.70) ADAM17NAMPT
SCHEMBL8275600 0.87 ADAM17 (0.45) ADAM17MEN1KMT2ANAMPTADAM10
SCHEMBL8273449 0.85 ADAM17 (0.47) ADAM17MEN1KMT2AUSP2GAA
SCHEMBL8275634 0.82 ADAM17 (0.79) ADAM17ADAM10MMP12MMP13
SCHEMBL8274428 0.79 ADAM17 (0.49) ADAM17GAADPP7DPP4
SCHEMBL8273743 0.75 ADAM17 (0.46) ADAM17MEN1KMT2ANAMPTADAM10
SCHEMBL8274406 0.75 ADAM17 (0.49) ADAM17MEN1KMT2AUSP2GAA
SCHEMBL8276118 0.74 ADAM17 (0.43) ADAM17MEN1KMT2AGAANAMPT

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
US-7652020-B2 novel hydantoin derivatives to inhibit matrix metalloproteinases (MMPs), a disintegrin and metalloproteases (ADAMs) and/or tumor necrosis factor alpha converting enzyme (TACE) and in so doing prevent the release of tumor necrosis factor alpha (TNF- alpha ); autoimmune diseases; side effect reduction SCHERING CORPORATION (US) 2010-01-26 — — US disclosed
WO-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 — — WO disclosed
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