SCHEMBL4045924

SCHEMBL4045924

COc1ccc(CC(NC(=O)Oc2ccc(-c3ccccc3)cc2)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)C(=O)c2ccccn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.40
HTRA1 Q92743 6/20 0.38
ITGA4 P13612 4/20 0.37
ITGB7 P26010 4/20 0.37
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
MC4R P32245 1/20 0.36
MC3R P41968 1/20 0.36
MC1R Q01726 1/20 0.36
ITGB1 P05556 1/20 0.35
GHSR Q92847 2/20 0.35
MME P08473 1/20 0.35

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
SCHEMBL4044814 0.94 FNTA (0.35) USP30ITGA4ITGB7MC4RMC3R
SCHEMBL4040539 0.93 MC4R (0.41) USP30HTRA1ITGA4ITGB7MC4R
SCHEMBL6210306 0.93 CTSK (0.43) USP30HTRA1ITGA4ITGB7MC4R
SCHEMBL4045521 0.90 CTSK (0.43)
SCHEMBL4043350 0.89 HTRA1 (0.35) HTRA1ITGA4ITGB7HDAC8MC4R
SCHEMBL4052303 0.89 CTSK (0.35) MC4RMC3RMC1R
SCHEMBL4041556 0.88 CTSK (0.43) USP30HTRA1ITGA4ITGB7ITGB3
SCHEMBL4042585 0.88 USP30 (0.39) USP30ITGA4ITGB7ITGB3ITGAV
SCHEMBL4051785 0.88 ITGA4 (0.39) USP30HTRA1ITGA4ITGB7ITGB3
SCHEMBL4041845 0.86 CTSK (0.50) USP30HTRA1MC4RMC3RMC1R

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
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed