SCHEMBL8411410

SCHEMBL8411410

N=C(N)NCCCCCC=CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 2/20 0.49
▸ MMP2 P08253 1/20 0.49
▸ MMP8 P22894 1/20 0.49
▸ ACE P12821 2/20 0.48
▸ ALOX15 P16050 1/20 0.47
▸ ERAP2 Q6P179 1/20 0.46
▸ MME P08473 1/20 0.46
▸ CCKBR P32239 2/20 0.46
▸ CCKAR P32238 1/20 0.46
▸ OPRD1 P41143 1/20 0.46
▸ ECE1 P42892 3/20 0.46
▸ LTA4H P09960 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
SCHEMBL8410913 0.86 EPHX2 (0.59) MMP1MMP2MMP8ACEERAP2
SCHEMBL7402598 0.84 MMP1 (0.52) MMP1MMP2MMP8ACECCKBR
SCHEMBL16161422 0.81 CCKAR (0.54) MMP1ACEERAP2CCKBRCCKAR
SCHEMBL30129802 0.81 CCKAR (0.54) MMP1ACEERAP2CCKBRCCKAR
SCHEMBL31074780 0.81 ERAP2 (0.51) MMP1MMP2MMP8ACEERAP2
SCHEMBL31484223 0.81 ERAP2 (0.51) MMP1MMP2MMP8ACEERAP2
SCHEMBL30053160 0.80 KISS1R (0.50) MMP1MMP2MMP8ACEERAP2
SCHEMBL31074790 0.80 MMP1 (0.51) MMP1MMP2MMP8ACEERAP2
SCHEMBL31145136 0.80 ACE (0.54) ACEERAP2ECE1
SCHEMBL7329586 0.79 HDAC3 (0.60) —

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0454651-B1 Novel platelet-aggregation inhibitors MONSANTO CO (US) 1999-07-28 — — EP claimed
EP-0454651-A2 Novel platelet-aggregation inhibitors MONSANTO COMPANY (US) 1991-10-30 — — EP claimed
US-5037808-A Indolyl platelet-aggregation inhibitors MONSANTO CO. (US) 1991-08-06 — — US claimed
EP-0454651-B1 Novel platelet-aggregation inhibitors MONSANTO CO (US) 1999-07-28 — — EP disclosed
US-5091396-A Guanidinoalkanoylaspartylpyridine derivatives; anticoagulants MONSANTO CO. (US) 1992-02-25 — — US disclosed
EP-0454651-A2 Novel platelet-aggregation inhibitors MONSANTO COMPANY (US) 1991-10-30 — — EP disclosed
US-5037808-A Indolyl platelet-aggregation inhibitors MONSANTO CO. (US) 1991-08-06 — — US disclosed
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