SCHEMBL8274404

SCHEMBL8274404

Nc1ccccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2ncccn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 20/20 0.55
▸ ADAM10 O14672 1/20 0.43
▸ MMP1 P03956 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP3 P08254 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ MMP14 P50281 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
SCHEMBL8277006 0.88 ADAM17 (0.71) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL8221213 0.88 ADAM17 (0.71) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL8273742 0.87 ADAM17 (0.61) ADAM17
SCHEMBL8273746 0.85 ADAM17 (0.59) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL8273739 0.83 ADAM17 (0.79) ADAM17ADAM10MMP2MMP3MMP13
SCHEMBL8274406 0.82 ADAM17 (0.49) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL8273741 0.80 ADAM17 (0.48) ADAM17
SCHEMBL8273740 0.79 ADAM17 (0.52) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL8273582 0.78 ADAM17 (0.47) ADAM17ADAM10MMP13
SCHEMBL8275634 0.76 ADAM17 (0.79) ADAM17ADAM10MMP1MMP2MMP3

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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