SCHEMBL4042529

SCHEMBL4042529

O=C(NC(Cc1ccc(O)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1cccnc1)Oc1ccc(-c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.38
CTSK P43235 2/20 0.36
ACE P12821 3/20 0.36
ELANE P08246 1/20 0.35
GPR132 Q9UNW8 3/20 0.35
MC4R P32245 1/20 0.35
MC3R P41968 1/20 0.35
MC1R Q01726 1/20 0.35
ITGA4 P13612 2/20 0.35
ITGB7 P26010 2/20 0.35
P2RX7 Q99572 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
CMKLR2 P46091 1/20 0.34
CMKLR1 Q99788 1/20 0.34

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
SCHEMBL4042585 0.94 USP30 (0.39) BCL2CTSKELANEMC4RMC3R
SCHEMBL4043465 0.94 MC4R (0.41) BCL2CTSKACEELANEGPR132
SCHEMBL4045597 0.93 ACE (0.36) BCL2CTSKACEELANEGPR132
SCHEMBL6213140 0.91 CTSK (0.44) BCL2CTSKACEGPR132MC4R
SCHEMBL4046868 0.90 ITGB1 (0.37) BCL2CTSKGPR132ITGA4ITGB7
SCHEMBL4045571 0.89 CTSK (0.46) CTSKELANE
SCHEMBL4047615 0.89 CTSB (0.38) BCL2CTSKACEGPR132TAAR1
SCHEMBL4043596 0.89 ELANE (0.38) CTSKELANEGPR132MC4RMC3R
SCHEMBL4047478 0.88 MC4R (0.37) CTSKACEMC4RMC3RMC1R
SCHEMBL4044814 0.88 FNTA (0.35) CTSKMC4RMC3RMC1RITGA4

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