Sugi Predict

Sugi Predict / Compounds / SCHEMBL7236579

SCHEMBL7236579

SCHEMBL7236579

CC(C)(C)OC(=O)C(N)(Cc1ccc(OCC2CN(c3ccc(CNC(=N)N)cc3)C(=O)O2)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 13/20 0.47
▸ F10 P00742 5/20 0.43
▸ ITGB3 P05106 3/20 0.40
▸ PRSS1 P07477 3/20 0.40
▸ PRSS2 P07478 3/20 0.40
▸ ITGA2B P08514 3/20 0.40
▸ PRSS3 P35030 3/20 0.40
▸ F2 P00734 1/20 0.40

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
SCHEMBL7238821 0.94 GRM2 (0.45) GRM2F10ITGB3PRSS1PRSS2
SCHEMBL7235542 0.92 GRM2 (0.46) GRM2F10
SCHEMBL7228288 0.90 GRM2 (0.49) GRM2F10ITGB3PRSS1PRSS2
SCHEMBL7235962 0.88 GRM2 (0.43) GRM2
SCHEMBL7237481 0.88 GRM2 (0.52) GRM2
SCHEMBL7229239 0.86 GRM2 (0.45) GRM2
SCHEMBL7229075 0.84 GRM2 (0.47) GRM2F10ITGB3PRSS1PRSS2
SCHEMBL7237371 0.82 GRM2 (0.49) GRM2
SCHEMBL7237956 0.82 GRM2 (0.41) GRM2
SCHEMBL8146492 0.82 GRM2 (0.54) GRM2F10ITGB3PRSS1PRSS2

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
US-6602876-B1 Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2003-08-05 — — US disclosed
US-6204280-B1 OXAZOLIDINONE DERIVATIVE, ANTICOAGULANT MERCK PATENT GESELLSCHAFT MIT BERSCHRANKTER HAFTUNG (DE) 2001-03-20 — — US disclosed