SCHEMBL8682545

SCHEMBL8682545

CC(C)(C)OC(=O)N(CCCc1n[nH]c2ccc(C(=O)O)cc12)c1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.37
▸ POLB P06746 1/20 0.36
▸ MAPK1 P28482 3/20 0.35
▸ HAO1 Q9UJM8 1/20 0.35
▸ MAPK3 P27361 1/20 0.34
▸ HTR1A P08908 2/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ MAP2K4 P45985 1/20 0.34
▸ MAPKAPK3 Q16644 1/20 0.34
▸ MAPK6 Q16659 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ ADRA1A P35348 1/20 0.34

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
SCHEMBL8682283 0.90 KDM4E (0.40) F2POLBMAPK1OPRM1
SCHEMBL8682542 0.75 TTK (0.35) POLBMAPK1HAO1MAP2K4MAPKAPK3
SCHEMBL8486574 0.75 POLB (0.48) POLBOPRM1CYP2D6
SCHEMBL6753577 0.74 MAP2K4 (0.43) MAPK1MAPK3MAP2K4MAPKAPK3MAPK6
SCHEMBL20025128 0.73 POLB (0.47) F2POLBOPRM1
SCHEMBL2042846 0.72 POLB (0.47) POLBOPRM1CYP2D6
SCHEMBL6958265 0.72 POLB (0.44) F2POLBOPRM1
SCHEMBL4955661 0.72 ITGB3 (0.40) POLBHTR1ADRD4OPRM1
SCHEMBL6566582 0.72 POLB (0.47) POLBOPRM1CYP3A4
SCHEMBL6302650 0.71 POLB (0.43) POLBOPRM1

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
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