SCHEMBL7364312

SCHEMBL7364312

CN(c1ccncc1)C(CN1CCNC(=O)C1)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
GPR119 Q8TDV5 2/20 0.32
MAPK1 P28482 1/20 0.32
SCN9A Q15858 1/20 0.32
THRB P10828 8/20 0.31
TSHR P16473 1/20 0.31
MCHR1 Q99705 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
F2 P00734 1/20 0.31
SLC2A2 P11168 1/20 0.30

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
SCHEMBL7356318 0.78 SMN1; SMN2 (0.39) ALDH1A1POLBSMN1; SMN2MAPK1SCN9A
SCHEMBL5504851 0.75 TSHR (0.39) ALDH1A1POLBSMN1; SMN2MAPK1THRB
SCHEMBL7361998 0.74 TSHR (0.38) ALDH1A1POLBSMN1; SMN2MAPK1SCN9A
SCHEMBL8499683 0.67 L3MBTL1 (0.39) ALDH1A1SMN1; SMN2MAPK1THRBL3MBTL1
SCHEMBL8501813 0.67 SMN1; SMN2 (0.37) ALDH1A1POLBSMN1; SMN2MAPK1L3MBTL1
SCHEMBL7366801 0.67 SMN1; SMN2 (0.36) ALDH1A1POLBSMN1; SMN2THRBTSHR
SCHEMBL28507628 0.67 SMN1; SMN2 (0.45) ALDH1A1POLBSMN1; SMN2MAPK1THRB
SCHEMBL1654317 0.64 F10 (0.36) ALDH1A1POLBSMN1; SMN2THRBSLC2A2
SCHEMBL7494699 0.63 SCN9A (0.36) MAPK1SCN9A
SCHEMBL13238482 0.63 DRD2 (0.47) ALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051176-A4 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARM PROD INC (US) 2002-06-12 EP disclosed
EP-1051176-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2000-11-15 EP disclosed
WO-2000032590-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-06-08 WO disclosed
WO-1999037304-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-07-29 WO disclosed