SCHEMBL4223835

SCHEMBL4223835

CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC3[C@H]2C(=O)CN3C(=O)c2cccnc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.65
CTSS P25774 1/20 0.49
MC4R P32245 2/20 0.44
MC3R P41968 2/20 0.44
MC1R Q01726 2/20 0.44
USP30 Q70CQ3 1/20 0.40
GPR132 Q9UNW8 2/20 0.39
PREP P48147 2/20 0.39
FAP Q12884 1/20 0.39
RAB9A P51151 1/20 0.38
ACE P12821 1/20 0.38
MAPT P10636 2/20 0.37
THRB P10828 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SLC18A3 Q16572 1/20 0.37
F2 P00734 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL8348784 1.00 CTSK (0.65) CTSKCTSSMC4RMC3RMC1R
SCHEMBL4223839 1.00 CTSK (0.65) CTSKCTSSMC4RMC3RMC1R
SCHEMBL4223836 1.00 CTSK (0.65) CTSKCTSSMC4RMC3RMC1R
SCHEMBL5942278 0.93 CTSK (0.65) CTSKCTSSMC4RMC3RMC1R
SCHEMBL5942280 0.93 CTSK (0.65) CTSKCTSSMC4RMC3RMC1R
SCHEMBL5941548 0.91 CTSK (0.66) CTSKCTSSMC4RMC3RMC1R
SCHEMBL5941551 0.91 CTSK (0.66) CTSKCTSSMC4RMC3RMC1R
SCHEMBL4046339 0.90 CTSK (0.55) CTSKCTSSMC4RMC3RMC1R
SCHEMBL5941468 0.89 CTSK (0.82) CTSKCTSSPREPFAPRAB9A
SCHEMBL4041237 0.89 CTSK (0.82) CTSKCTSSPREPFAPRAB9A

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 disclosed