SCHEMBL13689395

SCHEMBL13689395

CN(CC(c1ccccc1)c1ccccc1)C(=O)[C@H](CCCN)NCCNC(=O)/C=C/c1ccc(F)cc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC2 Q92769 2/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ EGFR P00533 1/20 0.32
▸ DRD2 P14416 2/20 0.32
▸ DRD1 P21728 2/20 0.32
▸ DRD4 P21917 2/20 0.32
▸ DRD5 P21918 2/20 0.32
▸ HTR2A P28223 2/20 0.32

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
SCHEMBL13689519 0.83 LMNA (0.48) KMT2AMEN1EGFRPKMALDH1A1
SCHEMBL13689399 0.83 LMNA (0.43) KMT2AMEN1EGFRPKMALDH1A1
SCHEMBL13689400 0.82 HDAC3 (0.44) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL13691674 0.80 DRD2 (0.41) HDAC2KMT2AMEN1EGFRDRD2
SCHEMBL13691667 0.77 SMN1; SMN2 (0.42) GAAPKMALDH1A1HTT
SCHEMBL13689517 0.77 GAA (0.38) GAAKMT2AMEN1DRD2DRD1
SCHEMBL13190967 0.77 MAPT (0.47) GAAKMT2AMEN1DRD2DRD3
SCHEMBL13188820 0.75 DRD2 (0.41) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL13691805 0.75 DRD2 (0.43) KMT2AEGFRDRD2DRD1DRD4
SCHEMBL13691662 0.73 TMEM97 (0.47) HDAC3HDAC1KMT2AMEN1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009105823-A1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS MIMETICA PTY LTD (AU) 2009-09-03 — — WO disclosed
WO-2009105824-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MIMETICA PTY LTD (AU) 2009-09-03 — — WO disclosed
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