SCHEMBL4044814

SCHEMBL4044814

O=C(NC(Cc1ccc(O)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1)Oc1ccc(-c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
MC4R P32245 1/20 0.35
MC3R P41968 1/20 0.35
MC1R Q01726 1/20 0.35
GRIA1 P42261 1/20 0.34
CTSK P43235 2/20 0.34
ACE2 Q9BYF1 1/20 0.34
OPRM1 P35372 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
PSMB5 P28074 1/20 0.33
USP30 Q70CQ3 1/20 0.33
SLC6A2 P23975 1/20 0.33
OPRD1 P41143 1/20 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
SCHEMBL4040539 0.94 MC4R (0.41) MC4RMC3RMC1RCTSKITGA4
SCHEMBL4045924 0.94 USP30 (0.40) MC4RMC3RMC1RITGA4ITGB7
SCHEMBL4043350 0.93 HTRA1 (0.35) FNTAFNTBMC4RMC3RMC1R
SCHEMBL4041003 0.90 CTSL (0.39) CTSK
SCHEMBL4045521 0.89 CTSK (0.43) CTSK
SCHEMBL4052303 0.88 CTSK (0.35) MC4RMC3RMC1RCTSK
SCHEMBL4043883 0.88 CTSK (0.42) FNTAFNTBMC4RMC3RMC1R
SCHEMBL4042529 0.88 BCL2 (0.38) MC4RMC3RMC1RCTSKITGA4
SCHEMBL4044603 0.88 MC4R (0.37) FNTAFNTBMC4RMC3RMC1R
SCHEMBL4044539 0.88 ITGA4 (0.36) FNTAFNTBCTSKACE2ITGA4

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