SCHEMBL8683192

SCHEMBL8683192

O=C(NC(CCCCNc1ccccn1)(NC(=O)c1cccc2[nH]ncc12)C(=O)O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.40
ITGA2B P08514 1/20 0.40
ITGAV P06756 3/20 0.39
ANPEP P15144 1/20 0.38
HTRA1 Q92743 1/20 0.37
SGMS2 Q8NHU3 1/20 0.36
METTL3 Q86U44 2/20 0.35
ITGB1 P05556 4/20 0.34
ITGA5 P08648 4/20 0.34
KIT P10721 2/20 0.34
GRIN2B Q13224 1/20 0.34
KCNA5 P22460 2/20 0.33
KCNK3 O14649 1/20 0.33
KCNA3 P22001 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL8682801 0.88 ITGB3 (0.41) ITGB3ITGA2BITGAVHTRA1METTL3
SCHEMBL8683601 0.88 ITGB3 (0.40) ITGB3ITGA2BITGAVANPEPHTRA1
SCHEMBL8682279 0.86 ITGB3 (0.49) ITGB3ITGA2BITGAVHTRA1METTL3
Hydrochloric Acid SCHEMBL8682425 0.84 ITGB3 (0.48) ITGB3ITGA2BITGAVHTRA1METTL3
SCHEMBL8683338 0.84 ITGB3 (0.47) ITGB3ITGA2BITGAVANPEPHTRA1
SCHEMBL8683577 0.84 ITGB3 (0.46) ITGB3ITGA2BITGAVANPEPHTRA1
SCHEMBL8682266 0.83 HTRA1 (0.38) ITGB3ITGA2BITGAVHTRA1METTL3
SCHEMBL8682751 0.83 ITGB3 (0.36) ITGB3ITGA2BITGAVMETTL3ITGB1
Trifluoroacetic Acid SCHEMBL8684118 0.83 ITGB3 (0.47) ITGB3ITGA2BITGAVHTRA1METTL3
Trifluoroacetic Acid SCHEMBL8681427 0.81 ITGB3 (0.45) ITGB3ITGA2BITGAVANPEPHTRA1

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
US-5760028-A TREATING CANCER METASTASIS, DIABETIC RETINOPATHY, NEOVASCULAR GLAUCOMA, THROMBOSIS, RESTENOSIS, OSTEOPOROSIS, MACULAR DEGENERATION THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-06-02 US disclosed