SCHEMBL4085534

SCHEMBL4085534

O=C(NC1C2CN(C(=O)O)CC21)c1cnc(-c2cccc(F)c2)nc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.46
HDAC4 P56524 3/20 0.46
HDAC7 Q8WUI4 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC9 Q9UKV0 3/20 0.46
HDAC5 Q9UQL6 3/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HPGDS O60760 4/20 0.43
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
MAP4K4 O95819 3/20 0.41
GRM5 P41594 4/20 0.40
HTR7 P34969 1/20 0.40
GABRA5 P31644 1/20 0.40

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
SCHEMBL1364921 1.00 HDAC3 (0.46) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL1364924 1.00 HDAC3 (0.46) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL1364922 1.00 HDAC3 (0.46) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL1365108 0.90 MAP4K4 (0.50) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL1366923 0.86 RIPK1 (0.46) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL1365962 0.86 HPGDS (0.41) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL1366021 0.84 DRD2 (0.52) HPGDSDRD2DRD4MAP4K4GRM5
SCHEMBL2071103 0.78 HPGDS (0.56) HPGDSMAP4K4GABRA5
SCHEMBL2071101 0.78 HPGDS (0.56) HPGDSMAP4K4GABRA5
SCHEMBL2071106 0.78 HPGDS (0.56) HPGDSMAP4K4GABRA5

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-7582643-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2009-09-01 US disclosed