SCHEMBL7337155

SCHEMBL7337155

CCOC(=O)[C@@H](N)Cc1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.48
KMT2A Q03164 2/20 0.46
PKM P14618 1/20 0.46
NAPRT Q6XQN6 1/20 0.45
TBXAS1 P24557 2/20 0.45
CYP3A4 P08684 2/20 0.44
RECQL P46063 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL20543866 1.00 FDPS (0.48) FDPSKMT2APKMNAPRTTBXAS1
SCHEMBL21947585 1.00 FDPS (0.48) FDPSKMT2APKMNAPRTTBXAS1
Hydrochloric Acid SCHEMBL29657240 0.99 FDPS (0.47) FDPSKMT2APKMNAPRTTBXAS1
Hydrochloric Acid SCHEMBL29115300 0.99 FDPS (0.47) FDPSKMT2APKMNAPRTTBXAS1
Hydrochloric Acid SCHEMBL29115298 0.99 FDPS (0.47) FDPSKMT2APKMNAPRTTBXAS1
Hydrochloric Acid SCHEMBL6980665 0.99 FDPS (0.47) FDPSKMT2APKMNAPRTTBXAS1
SCHEMBL19699200 0.87 ALDH1A1 (0.49) FDPSKMT2APKMNAPRTTBXAS1
SCHEMBL2058766 0.87 ALDH1A1 (0.49) FDPSKMT2APKMNAPRTTBXAS1
SCHEMBL29627252 0.87 ALDH1A1 (0.49) FDPSKMT2APKMNAPRTTBXAS1
SCHEMBL1693107 0.87 ALDH1A1 (0.49) FDPSKMT2APKMNAPRTTBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294549-B1 COMPOUNDS USEFUL FOR INHIBITING RESTENOSIS, ANGIOGENESIS, ATHEROSCLEROSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, INFLAMMATION OR TUMOR GROWTH. MERCK & CO., INC. 2001-09-25 US disclosed
EP-0946165-A4 INTEGRIN ANTAGONISTS MERCK & CO INC (US) 2001-04-11 EP disclosed
EP-0946165-A1 INTEGRIN ANTAGONISTS Merck & Co., Inc. (US) 1999-10-06 EP disclosed
US-5952306-A INHIBITING THE BINDING OF FIBRINOGEN TO BLOOD PLATELETS AND INHIBITING THE AGGREGATION OF BLOOD PLATELETS; INHIBITING OSTEOCLAST CELLULAR ADHESION TO BONE SURFACES MERCK & CO., INC. (US) 1999-09-14 US disclosed
EP-0880511-A4 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-06-16 EP disclosed
EP-0866705-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-03-03 EP disclosed
US-5852045-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-22 US disclosed
EP-0880511-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-12-02 EP disclosed
EP-0866705-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-09-30 EP disclosed
WO-1998018460-A1 INTEGRIN ANTAGONISTS MERCK & CO., INC. (US) 1998-05-07 WO disclosed
WO-1997026250-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-07-24 WO disclosed
WO-1997014417-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-04-24 WO disclosed