SCHEMBL4045597

SCHEMBL4045597

O=C(NC(Cc1cccc(O)c1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1cccnc1)Oc1ccc(-c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.36
BCL2 P10415 1/20 0.36
GPR132 Q9UNW8 6/20 0.35
CMKLR2 P46091 1/20 0.35
CMKLR1 Q99788 1/20 0.35
CTSK P43235 3/20 0.35
ELANE P08246 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
MC4R P32245 1/20 0.34
MC3R P41968 1/20 0.34
MC1R Q01726 1/20 0.34
CTSB P07858 3/20 0.34
CTSS P25774 3/20 0.34
EPHX1 P07099 1/20 0.34
CTSL P07711 2/20 0.33
CTSV O60911 1/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 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
SCHEMBL4042529 0.93 BCL2 (0.38) ACEBCL2GPR132CMKLR2CMKLR1
SCHEMBL4047882 0.90 F2 (0.36) ACEBCL2GPR132CMKLR2CMKLR1
SCHEMBL4044160 0.90 CTSB (0.37) ACEGPR132CMKLR2CMKLR1CTSK
SCHEMBL4042585 0.90 USP30 (0.39) BCL2CTSKELANEMC4RMC3R
SCHEMBL4043465 0.90 MC4R (0.41) ACEBCL2GPR132CTSKELANE
SCHEMBL4043350 0.88 HTRA1 (0.35) CTSKMC4RMC3RMC1RCTSB
SCHEMBL4045571 0.87 CTSK (0.46) CTSKELANECTSBCTSSCTSL
SCHEMBL4043596 0.87 ELANE (0.38) GPR132CTSKELANEMC4RMC3R
SCHEMBL4051296 0.85 CTSL (0.39) CTSKCTSBCTSSCTSLCTSV
SCHEMBL4042165 0.85 EPHX1 (0.37) ACEGPR132CMKLR2CMKLR1CTSK

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