SCHEMBL8408670

SCHEMBL8408670

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

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.48
▸ BMP1 P13497 1/20 0.48
▸ MMP1 P03956 2/20 0.47
▸ CCKBR P32239 2/20 0.46
▸ ITGB3 P05106 1/20 0.46
▸ ITGB1 P05556 1/20 0.46
▸ ITGAV P06756 1/20 0.46
▸ ITGA5 P08648 1/20 0.46
▸ MDM2 Q00987 1/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ MMP8 P22894 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 0.87 EPHX2 (0.59) EPHX2BMP1MMP1CCKBRMMP2
SCHEMBL16359369 0.81 MEN1 (0.57) EPHX2BMP1
SCHEMBL7251369 0.78 BRS3 (0.55) MMP2MMP8
SCHEMBL8408579 0.77 ITGB3 (0.46) ITGB3
SCHEMBL7318679 0.77 ITGB3 (0.48) ITGB3ITGB1ITGAVITGA5MDM2
Hydroxyamine SCHEMBL7159763 0.77 MTNR1A (0.57) —
SCHEMBL29791638 0.77 NPBWR1 (0.60) CCKBR
SCHEMBL7251691 0.76 NMBR (0.61) BMP1
SCHEMBL7443877 0.76 ITGB3 (0.57) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL7251741 0.76 BRS3 (0.65) BMP1

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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