SCHEMBL10408619

SCHEMBL10408619

COc1ccc(C[C@H](NC(=O)C(C)C)C(=O)N[C@@H](Cc2c[nH]cn2)C(N)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 16/20 0.46
▸ MMP3 P08254 4/20 0.45
▸ MMP2 P08253 4/20 0.45
▸ MMP9 P14780 3/20 0.45
▸ ADAM17 P78536 1/20 0.44
▸ MMP8 P22894 2/20 0.43
▸ MMP7 P09237 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ OPRM1 P35372 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ PTPN1 P18031 1/20 0.42

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
SCHEMBL9417215 0.85 ITGB3 (0.49) PTPN1
SCHEMBL9832615 0.85 OPRM1 (0.40) MMP1MMP3MMP2MMP9ADAM17
SCHEMBL9818534 0.85 REN (0.45) MMP1
SCHEMBL9833056 0.83 REN (0.45) MMP1MMP3MMP2MMP9ADAM17
SCHEMBL7374762 0.80 MMP3 (0.43) MMP1MMP3MMP2MMP9ADAM17
SCHEMBL1310175 0.80 PTPN1 (0.56) MMP3PTPN1
SCHEMBL1310180 0.80 PTPN1 (0.56) MMP3PTPN1
SCHEMBL11765581 0.79 REN (0.54) MMP1OPRM1PTPN1
SCHEMBL11759100 0.79 REN (0.54) MMP1OPRM1PTPN1
SCHEMBL9818552 0.79 REN (0.45) MMP1PTPN1

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-4977277-A INTERMEDIATES FOR RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-12-11 — — US disclosed
EP-0230266-A2 Functionalized peptidyl aminodiols and -triols ABBOTT LABORATORIES (US) 1987-07-29 — — EP disclosed
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