SCHEMBL16613080

SCHEMBL16613080

Cc1n[nH]c(Oc2ccc3c(c2)CC(N)C(=O)N3O)n1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AADAT Q8N5Z0 19/20 0.61
▸ KYAT3 Q6YP21 4/20 0.61
▸ KYAT1 Q16773 3/20 0.61
▸ GOT1 P17174 1/20 0.45

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
SCHEMBL3778808 0.81 AADAT (0.65) AADATKYAT3KYAT1GOT1
SCHEMBL3770746 0.80 AADAT (0.61) AADATKYAT3KYAT1GOT1
SCHEMBL6763381 0.80 AADAT (0.79) AADATKYAT3KYAT1GOT1
SCHEMBL16613060 0.80 AADAT (0.60) AADATKYAT3KYAT1GOT1
SCHEMBL6763345 0.78 AADAT (0.79) AADATKYAT3KYAT1GOT1
SCHEMBL3780522 0.78 AADAT (0.67) AADATKYAT3KYAT1GOT1
SCHEMBL6763329 0.78 AADAT (0.67) AADATKYAT3KYAT1GOT1
SCHEMBL3778777 0.78 AADAT (0.64) AADATKYAT3KYAT1GOT1
SCHEMBL3769027 0.77 AADAT (0.60) AADATKYAT3KYAT1GOT1
SCHEMBL3783795 0.77 AADAT (0.60) AADATKYAT3KYAT1GOT1

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
EP-2443092-B1 BICYCLIC AND TRICYCLIC COMPOUNDS AS KAT II INHIBITORS PFIZER (US) 2015-04-08 — — EP disclosed
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