SCHEMBL4036336

SCHEMBL4036336

CCOC(=O)N1CCN(C(=O)[C@@](C)(N)c2ccc(C(=O)OC(C)(C)C)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ GAA P10253 4/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HRH2 P25021 1/20 0.45
▸ HRH1 P35367 1/20 0.45
▸ ATM Q13315 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ SMN1; SMN2 Q16637 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
SCHEMBL8556151 0.81 MAPT (0.64) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL316881 0.79 LMNA (0.50) KMT2AMEN1ALDH1A1GAAATM
SCHEMBL316880 0.79 LMNA (0.50) KMT2AMEN1ALDH1A1GAAATM
SCHEMBL27444507 0.78 MAPT (0.73) KMT2AALDH1A1GAAMAPTATM
Hydrochloric Acid SCHEMBL1112851 0.78 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL2586086 0.74 LMNA (0.52) KMT2AHRH2HRH1LMNA
SCHEMBL2586090 0.74 LMNA (0.52) KMT2AHRH2HRH1LMNA
SCHEMBL18608207 0.73 CA1 (0.63) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL4217485 0.73 ALDH1A1 (0.45) ALDH1A1GAAMAPTLMNAL3MBTL1
SCHEMBL1742370 0.72 SMN1; SMN2 (0.60) KMT2AMEN1ALDH1A1GAAMAPT

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-2079711-A2 2-PHENYL-6-AMINOCARBONYL-PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-07-22 — — EP disclosed
WO-2008050301-A2 2- PHENYL- 6-AMINOCARBONYL- PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-05-02 — — WO disclosed
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