SCHEMBL6603571

SCHEMBL6603571

Cc1cccc(C(=O)NC(=N)c2ccc(N3CC(COS(C)(=O)=O)OC3=O)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 7/20 0.47
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F10 P00742 5/20 0.40
ITGB3 P05106 5/20 0.39
PRSS1 P07477 5/20 0.39
PRSS2 P07478 5/20 0.39
ITGA2B P08514 5/20 0.39
PRSS3 P35030 5/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL6600786 0.91 GRM2 (0.40) GRM2MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL6605363 0.91 F10 (0.50) GRM2F10ITGB3ITGA2B
SCHEMBL6601234 0.91 GRM2 (0.49) GRM2F10ITGB3PRSS1PRSS2
SCHEMBL6603425 0.90 GRM2 (0.46) GRM2F10ITGB3PRSS1PRSS2
SCHEMBL6600718 0.90 GRM2 (0.45) GRM2F10ITGB3PRSS1PRSS2
SCHEMBL6601789 0.90 GRM2 (0.45) GRM2F10ITGB3PRSS1PRSS2
SCHEMBL6600722 0.90 GRM2 (0.45) GRM2F10ITGB3PRSS1PRSS2
SCHEMBL6601219 0.90 GRM2 (0.50) GRM2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6600546 0.89 GRM2 (0.49) GRM2MAOAMAOBF10ITGB3
SCHEMBL6603720 0.88 GRM2 (0.49) GRM2F10

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-0741133-B1 Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2004-01-28 EP disclosed
EP-0741133-A2 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-11-06 EP disclosed