SCHEMBL6213735

SCHEMBL6213735

O=C(NC(Cc1ccc(F)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.53
MC4R P32245 2/20 0.42
MC3R P41968 2/20 0.42
MC1R Q01726 2/20 0.42
CTSS P25774 4/20 0.40
CTSL P07711 3/20 0.40
PSMB5 P28074 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGAV P06756 1/20 0.40
ITGA2B P08514 1/20 0.40
ITGA5 P08648 1/20 0.40
ITGB5 P18084 1/20 0.40
KDM1A O60341 6/20 0.39
USP30 Q70CQ3 1/20 0.38
KMT2A Q03164 1/20 0.38
CTSV O60911 2/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38

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
SCHEMBL4040724 0.92 CTSK (0.62) CTSKMC4RMC3RMC1RCTSS
SCHEMBL4052754 0.90 CTSK (0.42) CTSKMC4RMC3RMC1RCTSS
SCHEMBL6210192 0.88 CTSK (0.43) CTSKMC4RMC3RMC1RPSMB5
SCHEMBL4038798 0.85 CTSK (0.63) CTSKMC4RMC3RMC1RCTSS
SCHEMBL4037045 0.83 CTSK (0.72) CTSKCTSSCTSLPSMB5CTSV
SCHEMBL4046526 0.83 CTSK (0.72) CTSKCTSSCTSLPSMB5CTSV
SCHEMBL4041977 0.83 CTSK (0.61) CTSKCTSSCTSLUSP30KMT2A
SCHEMBL6211121 0.83 CTSK (0.43) CTSKMC4RMC3RMC1RITGB3
SCHEMBL4045588 0.83 DPP4 (0.44) CTSKMC4RMC3RMC1R
SCHEMBL4043883 0.83 CTSK (0.42) CTSKMC4RMC3RMC1RCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed