SCHEMBL16612951

SCHEMBL16612951

CN(Cc1ccc2c(c1)C[C@H](N)C(=O)N2O)C1CCC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 16/20 0.56
KYAT3 Q6YP21 4/20 0.48
KYAT1 Q16773 3/20 0.48
GOT1 P17174 1/20 0.48
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL3780497 0.81 AADAT (0.55) AADATKYAT3KYAT1GOT1
SCHEMBL3780990 0.79 AADAT (0.57) AADATKYAT3KYAT1GOT1
SCHEMBL3780587 0.79 AADAT (0.53) AADATKYAT3KYAT1GOT1
SCHEMBL3770961 0.79 AADAT (0.62) AADATKYAT3KYAT1GOT1
SCHEMBL3778801 0.79 AADAT (0.53) AADATKYAT3KYAT1GOT1
SCHEMBL3779746 0.78 AADAT (0.55) AADATKYAT3KYAT1GOT1
SCHEMBL3783103 0.78 AADAT (0.52) AADATKYAT3KYAT1GOT1
SCHEMBL3774709 0.78 AADAT (0.55) AADATKYAT3KYAT1GOT1
SCHEMBL3783896 0.78 AADAT (0.52) AADATKYAT3KYAT1GOT1
SCHEMBL3770968 0.77 AADAT (0.57) 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