SCHEMBL4230815

SCHEMBL4230815

CC(C)(C)[C@H](NC(=O)c1nn(CCCCC#N)c2ccc(F)cc12)C(=O)NCCCO

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.44
CNR2 P34972 6/20 0.44
KDM4C Q9H3R0 4/20 0.37
HDAC3 O15379 4/20 0.36
HDAC4 P56524 4/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC7 Q8WUI4 4/20 0.36
HDAC2 Q92769 4/20 0.36
HDAC10 Q969S8 4/20 0.36
HDAC11 Q96DB2 4/20 0.36
HDAC8 Q9BY41 4/20 0.36
HDAC6 Q9UBN7 4/20 0.36
HDAC9 Q9UKV0 4/20 0.36
HDAC5 Q9UQL6 4/20 0.36
AR P10275 3/20 0.33

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
SCHEMBL4048845 0.96 CNR1 (0.45) CNR1CNR2KDM4CHDAC3HDAC4
SCHEMBL4051488 0.93 CNR1 (0.44) CNR1CNR2KDM4CHDAC3HDAC4
SCHEMBL13690618 0.93 CNR1 (0.44) CNR1CNR2KDM4CHDAC3HDAC4
SCHEMBL13691236 0.90 CNR1 (0.44) CNR1CNR2
SCHEMBL4056713 0.90 CNR1 (0.44) CNR1CNR2
SCHEMBL4051386 0.89 CNR1 (0.45) CNR1CNR2KDM4CHDAC3HDAC4
SCHEMBL4049369 0.89 CNR1 (0.48) CNR1CNR2KDM4CAR
SCHEMBL4051603 0.88 CNR1 (0.58) CNR1CNR2HDAC1HDAC6
SCHEMBL13690974 0.88 CNR1 (0.58) CNR1CNR2HDAC1HDAC6
SCHEMBL4049934 0.86 CNR1 (0.45) CNR1CNR2

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
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed