SCHEMBL8285679

SCHEMBL8285679

O=C(NCC1CCC(COc2ccc(F)cc2)CC1)c1ccc(O)cc1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 3/20 0.50
PARP10 Q53GL7 3/20 0.50
PARP2 Q9UGN5 2/20 0.50
AR P10275 1/20 0.48
MMP13 P45452 1/20 0.47
NR1H4 Q96RI1 1/20 0.46
GABRA5 P31644 2/20 0.46
CHRM4 P08173 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
SCHEMBL14451499 1.00 PARP15 (0.50) PARP15PARP10PARP2ARMMP13
SCHEMBL8285682 0.89 KAT6A (0.51) PARP15PARP10PARP2ARMMP13
SCHEMBL5513674 0.88 PDE4A (0.54) PARP15PARP10PARP2MMP13NR1H4
SCHEMBL5513669 0.88 PDE4A (0.54) PARP15PARP10PARP2MMP13NR1H4
SCHEMBL5521806 0.88 HDAC3 (0.51) PARP15PARP10PARP2ARNR1H4
SCHEMBL5523321 0.88 HDAC3 (0.51) PARP15PARP10PARP2ARNR1H4
SCHEMBL5521812 0.88 HDAC3 (0.51) PARP15PARP10PARP2ARNR1H4
SCHEMBL5517528 0.86 SMN1; SMN2 (0.44) ARGABRA5CHRM4
SCHEMBL5519281 0.86 HPGD (0.49) PARP15PARP10PARP2
SCHEMBL5523245 0.86 HPGD (0.49) PARP15PARP10PARP2

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-2005080317-A2 THERAPEUTIC AMIDE DERIVATIVES PFIZER JAPAN, INC. (JP) 2005-09-01 WO disclosed