SCHEMBL7404995

SCHEMBL7404995

Cc1cnc(N)c(=O)n1CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.53
PRSS1 P07477 4/20 0.53
PRSS2 P07478 3/20 0.53
PRSS3 P35030 3/20 0.53
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.40
ADORA2B P29275 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
GRIA4 P48058 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37

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
SCHEMBL7452530 0.81 LMNA (0.42) F2PRSS1PRSS2PRSS3LMNA
SCHEMBL7451716 0.80 LMNA (0.41) F2PRSS1PRSS2PRSS3LMNA
SCHEMBL7139240 0.80 F2 (0.44) F2PRSS1PRSS2PRSS3
SCHEMBL13031138 0.77 LMNA (0.43) LMNAADORA2BKDM4EALDH1A1HPGD
SCHEMBL23460839 0.75 ALDH1A1 (0.48) F2LMNAKDM4EALDH1A1HPGD
SCHEMBL7220542 0.75 F2 (0.47) F2PRSS1PRSS2PRSS3
SCHEMBL7809549 0.74 F2 (0.45) F2PRSS1
SCHEMBL17234272 0.73 GRIN2D (0.43) LMNAGAAADORA2BKDM4EALDH1A1
SCHEMBL6800734 0.73 GAA (0.40) LMNAGAAADORA2BKDM4EALDH1A1
SCHEMBL4456432 0.72 APEX1 (0.42) F2LMNAGAAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0900207-B1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO INC (US) 2001-11-21 EP disclosed
US-6211184-B1 TETRAHYDRO-PYRAZINE OR PYRIMIDINE DERIVATIVES; VITRONECTIN RECEPTOR ANTAGONIST; OSTEOPOROSIS; ANTIINFLAMMATORY, ANTITUMOR AGENTS; ANGIOGENESIS AND RESTENOSIS INHIBITORS MERCK & CO., INC. 2001-04-03 US disclosed
US-5981546-A Integrin antagonists MERCK & CO., INC. (US) 1999-11-09 US disclosed
EP-0900207-A1 PYRAZINONE THROMBIN INHIBITORS Merck & Co., Inc. (US) 1999-03-10 EP disclosed
US-5866573-A Pyrazinone thrombin inhibitors MERCK & CO., INC. (US) 1999-02-02 US disclosed
WO-1997040024-A1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO., INC. (US) 1997-10-30 WO disclosed