SCHEMBL4045926

SCHEMBL4045926

O=C(NC(CC1CCCCC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1cccnc1)Oc1ccsc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 1/20 0.36
CTSV O60911 2/20 0.36
CTSL P07711 2/20 0.36
CTSS P25774 2/20 0.36
GCK P35557 1/20 0.35
CPB2 Q96IY4 1/20 0.35
HTRA1 Q92743 1/20 0.34
C3AR1 Q16581 1/20 0.34
FKBP1A P62942 1/20 0.34
NAMPT P43490 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
SCHEMBL4046543 0.90 KCNQ1 (0.38) GPR132CTSVCTSLCTSSGCK
SCHEMBL4042764 0.90 CTSK (0.38) CTSLCTSSFKBP1A
SCHEMBL4047237 0.89 SMYD3 (0.35) CTSLCTSSFKBP1A
SCHEMBL4045208 0.89 SMYD3 (0.35) GPR132FKBP1A
SCHEMBL4051046 0.88 CTSV (0.39) GPR132CTSVCTSLCTSSCPB2
SCHEMBL4047756 0.88 CTSL (0.38) GPR132CTSVCTSLCTSSCPB2
SCHEMBL4045653 0.87 CTSS (0.38) CTSVCTSLCTSSGCKHTRA1
SCHEMBL4041667 0.87 HTRA1 (0.38) GPR132CTSVCTSLCTSSCPB2
SCHEMBL4044172 0.86 CTSS (0.36) GPR132CTSVCTSLCTSSGCK
SCHEMBL4042447 0.84 CTSL (0.43) CTSVCTSLCTSSGCK

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