SCHEMBL5244226

SCHEMBL5244226

CCOC(=O)C1(Cc2cccc(C)c2F)CCN(Cc2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.60
LMNA P02545 1/20 0.58
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
HTT P42858 2/20 0.56
POLB P06746 1/20 0.56
ALDH1A1 P00352 3/20 0.56
GAA P10253 1/20 0.56
MAPK1 P28482 1/20 0.56
MAPT P10636 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
OPRM1 P35372 1/20 0.53
OPRD1 P41143 1/20 0.53

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
SCHEMBL14303147 0.90 L3MBTL1 (0.67) L3MBTL1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL4222736 0.88 L3MBTL1 (0.64) L3MBTL1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL4864670 0.84 L3MBTL1 (0.77) L3MBTL1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL26102667 0.80 LMNA (0.69) L3MBTL1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL7012242 0.78 LMNA (0.67) L3MBTL1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL31643319 0.78 KMT2A (0.67) L3MBTL1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL4506781 0.78 KDM4E (0.76) L3MBTL1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL3771626 0.78 KMT2A (0.80) L3MBTL1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL12946592 0.77 SMN1; SMN2 (0.71) L3MBTL1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL744071 0.77 LMNA (0.62) L3MBTL1SMN1; SMN2LMNAKMT2AMEN1

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-1866315-A1 1,2,4-TRIAZOLE DERIVATIVES AND THEIR USE AS OXYTOCIN ANTAGONISTS Pfizer Limited (GB) 2007-12-19 EP disclosed
WO-2006092731-A1 1, 2, 4-TRIAZOLE DERIVATIVES AND THEIR USE AS OXYTOCIN ANTAGONISTS PFIZER LIMTED (GB) 2006-09-08 WO disclosed