SCHEMBL7447904

SCHEMBL7447904

CCOC(C(=O)O)(c1ccccc1)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.40
KCNA5 P22460 1/20 0.39
TSHR P16473 1/20 0.39
CYP3A4 P08684 1/20 0.39
HIF1A Q16665 1/20 0.39
FKBP1A P62942 1/20 0.38

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
SCHEMBL4186774 0.74 SMN1; SMN2 (0.46) OPRM1OPRD1SMN1; SMN2LMNAALDH1A1
SCHEMBL3312757 0.73 SMN1; SMN2 (0.58) OPRM1OPRD1SMN1; SMN2KMT2ALMNA
SCHEMBL18889556 0.72 OPRM1 (0.60) OPRM1OPRD1SMN1; SMN2MEN1KMT2A
SCHEMBL28845914 0.71 SMN1; SMN2 (0.49) OPRM1OPRD1SMN1; SMN2MEN1KMT2A
SCHEMBL14230942 0.71 SMN1; SMN2 (0.38) OPRM1OPRD1SMN1; SMN2MEN1KMT2A
SCHEMBL10558801 0.70 OPRM1 (0.51) OPRM1OPRD1SMN1; SMN2MEN1KMT2A
SCHEMBL18112755 0.70 OPRM1 (0.43) OPRM1OPRD1SMN1; SMN2MEN1KMT2A
SCHEMBL4541997 0.70 KCNA5 (0.48) OPRM1OPRD1SMN1; SMN2MEN1KMT2A
SCHEMBL8740951 0.70 SMN1; SMN2 (0.66) OPRM1OPRD1SMN1; SMN2MEN1KMT2A
SCHEMBL9681172 0.69 SMN1; SMN2 (0.50) OPRM1OPRD1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0813527-A4 6-SUBSTITUTED PYRAZOLO 3,4-d] PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI WINTHROP INC (US) 1998-09-09 EP disclosed
EP-0813527-A1 6-SUBSTITUTED PYRAZOLO 3,4-d] PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI PHARMACEUTICALS, INC. (US) 1997-12-29 EP disclosed
WO-1996028429-A1 6-SUBSTITUTED PYRAZOLO [3,4-d] PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI WINTHROP, INC. (US) 1996-09-19 WO disclosed