SCHEMBL16612930

SCHEMBL16612930

N#Cc1ccc(Oc2cnc3c(c2)C[C@H](N)C(=O)N3O)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 8/20 0.46
KYAT1 Q16773 2/20 0.46
KYAT3 Q6YP21 2/20 0.46
PGR P06401 1/20 0.38
SLC22A12 Q96S37 5/20 0.37
AR P10275 5/20 0.37
TRPV4 Q9HBA0 1/20 0.36

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
SCHEMBL16613022 0.88 AADAT (0.51) AADATKYAT1KYAT3
SCHEMBL16613064 0.86 AADAT (0.46) AADATKYAT1KYAT3SLC22A12
SCHEMBL3786050 0.85 AADAT (0.48) AADATKYAT1KYAT3
SCHEMBL3776005 0.85 AADAT (0.50) AADATKYAT1KYAT3
SCHEMBL3778827 0.83 AADAT (0.53) AADATKYAT1KYAT3
SCHEMBL16612975 0.83 AADAT (0.52) AADATKYAT1KYAT3SLC22A12
SCHEMBL3779412 0.82 AADAT (0.50) AADATKYAT1KYAT3
SCHEMBL3779699 0.82 AADAT (0.45) AADATKYAT1KYAT3
SCHEMBL3779639 0.81 AADAT (0.53) AADATKYAT1KYAT3
SCHEMBL3779729 0.80 AADAT (0.52) AADATKYAT1KYAT3

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