SCHEMBL7090968

SCHEMBL7090968

CS(=O)(=O)c1cc(NC(=O)[C@H](Cc2cccnc2)NC(=O)Nc2ccccc2)ccc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.48
USP30 Q70CQ3 2/20 0.48
FPR1 P21462 2/20 0.47
NAMPT P43490 8/20 0.46
MMP1 P03956 1/20 0.45
F10 P00742 2/20 0.43
CYP2C9 P11712 1/20 0.43
MMP2 P08253 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42

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
SCHEMBL6374214 0.92 USP30 (0.49) FPR2USP30FPR1NAMPTMMP1
SCHEMBL6374206 0.92 USP30 (0.49) FPR2USP30FPR1NAMPTMMP1
SCHEMBL7088998 0.84 MAPK1 (0.51) FPR2F10
SCHEMBL7142205 0.83 FPR2 (0.60) FPR2USP30F10
SCHEMBL6380705 0.82 F10 (0.55) FPR2USP30F10
SCHEMBL6374074 0.82 F10 (0.55) FPR2USP30F10
SCHEMBL6374070 0.82 F10 (0.55) FPR2USP30F10
SCHEMBL6374816 0.79 F10 (0.53) FPR2NAMPTF10
SCHEMBL6378918 0.79 F10 (0.53) FPR2NAMPTF10
SCHEMBL6374808 0.79 F10 (0.53) FPR2NAMPTF10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341755-A1 CARBOXYLIC ACID AMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMOURS MERCK PATENT GmbH (DE) 2003-09-10 EP claimed
WO-2002048099-A1 CARBOXYLIC ACID AMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMOURS MERCK PATENT GMBH (DE) 2002-06-20 WO claimed