SCHEMBL7404997

SCHEMBL7404997

Cc1cc(CCOc2ccc(C(=O)NCC(C)(N)C(=O)NO)cc2)c2ccccc2n1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
ADAM17 P78536 9/20 0.51
ADAM10 O14672 1/20 0.49
MMP1 P03956 1/20 0.49

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
SCHEMBL6595019 0.91 ADAM17 (0.62) ADAM17ADAM10MMP1
SCHEMBL6596831 0.82 ADAM17 (0.63) ADAM17ADAM10MMP1
SCHEMBL7400903 0.82 ADAM17 (0.58) SMN1; SMN2ADAM17ADAM10MMP1
SCHEMBL6593905 0.81 ADAM17 (0.62) ADAM17ADAM10MMP1
SCHEMBL6596414 0.81 ADAM17 (0.62) ADAM17ADAM10MMP1
SCHEMBL7402737 0.81 ADAM17 (0.62) ADAM17ADAM10MMP1
SCHEMBL7405002 0.81 SMN1; SMN2 (0.51) SMN1; SMN2ADAM17ADAM10MMP1
SCHEMBL7402595 0.81 ADAM17 (0.63) SMN1; SMN2ADAM17ADAM10MMP1
SCHEMBL7404233 0.79 ADAM17 (0.49) ADAM17ADAM10MMP1
SCHEMBL7404737 0.79 ADAM17 (0.53) SMN1; SMN2ADAM17

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
EP-1263756-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA Bristol-Myers Squibb Pharma Company (US) 2002-12-11 EP disclosed
WO-2001070734-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-27 WO disclosed