SCHEMBL8275634

SCHEMBL8275634

C[C@@H]1CN(c2ccccc2N)CCC1CNC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 20/20 0.79
▸ MMP13 P45452 2/20 0.51
▸ ADAM10 O14672 1/20 0.51
▸ MMP1 P03956 1/20 0.51
▸ MMP2 P08253 1/20 0.51
▸ MMP3 P08254 1/20 0.51
▸ MMP14 P50281 1/20 0.51
▸ MMP7 P09237 1/20 0.46
▸ MMP12 P39900 1/20 0.46

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
SCHEMBL8275879 0.91 ADAM17 (0.81) ADAM17MMP13ADAM10MMP1MMP2
SCHEMBL8217816 0.89 ADAM17 (1.00) ADAM17MMP13ADAM10MMP1MMP2
SCHEMBL12214279 0.89 ADAM17 (1.00) ADAM17MMP13ADAM10MMP1MMP2
SCHEMBL8273441 0.82 ADAM17 (0.54) ADAM17MMP13ADAM10MMP12
SCHEMBL8273361 0.82 ADAM17 (0.54) ADAM17MMP13ADAM10MMP12
SCHEMBL8273746 0.80 ADAM17 (0.59) ADAM17MMP13ADAM10MMP1MMP2
SCHEMBL8273739 0.78 ADAM17 (0.79) ADAM17MMP13ADAM10MMP2MMP3
SCHEMBL8274747 0.77 ADAM17 (0.61) ADAM17MMP13ADAM10MMP1MMP2
SCHEMBL8273740 0.76 ADAM17 (0.52) ADAM17MMP13ADAM10MMP1MMP2
SCHEMBL8274404 0.76 ADAM17 (0.55) ADAM17MMP13ADAM10MMP1MMP2

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
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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