SCHEMBL4045929

SCHEMBL4045929

CCCC(NC(=O)Oc1cnc2ccccc2n1)C(=O)N1CCC2C1C(=O)CN2C(=O)Cc1cccnc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.36
FAP Q12884 2/20 0.36
CTSK P43235 4/20 0.35
POLB P06746 1/20 0.34
PAX8 Q06710 1/20 0.33
ACACB O00763 1/20 0.33
GPR132 Q9UNW8 3/20 0.32
CXCR4 P61073 1/20 0.32
HTRA1 Q92743 1/20 0.32
VNN1 O95497 1/20 0.32
CXCR3 P49682 1/20 0.31
P2RX7 Q99572 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL4048898 0.92 CTSK (0.43) CTSKPOLBPAX8
SCHEMBL4041238 0.92 CHRNB2 (0.36) PREPFAPCTSKPAX8ACACB
SCHEMBL4045110 0.87 PREP (0.35) PREPFAPCTSKPOLB
SCHEMBL4043031 0.86 HTRA1 (0.37) CTSKPAX8ACACBGPR132HTRA1
SCHEMBL4047771 0.86 CTSK (0.39) CTSKACACBGPR132SIGMAR1
SCHEMBL4044443 0.85 ALDH1A1 (0.38) PREPFAPCTSKPAX8ACACB
SCHEMBL4047976 0.85 CTSK (0.43) CTSK
SCHEMBL4043616 0.85 CTSK (0.35) PREPFAPCTSKPAX8GPR132
SCHEMBL4046666 0.85 HSD17B10 (0.36) PREPFAPCTSK
SCHEMBL4046060 0.84 CTSK (0.35) PREPFAPCTSKPAX8ACACB

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