SCHEMBL7653492

SCHEMBL7653492

Cc1nc(-c2ccc(C(=O)N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)cc2)no1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.61
CNR2 P34972 2/20 0.61
PRKAB2 O43741 4/20 0.58
PRKAG1 P54619 4/20 0.58
PRKAA2 P54646 4/20 0.58
PRKAA1 Q13131 4/20 0.58
PRKAG3 Q9UGI9 4/20 0.58
PRKAG2 Q9UGJ0 4/20 0.58
PRKAB1 Q9Y478 4/20 0.58
STAT3 P40763 3/20 0.56
MAPT P10636 2/20 0.55
EPHX2 P34913 3/20 0.54
HDAC4 P56524 3/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HPGDS O60760 1/20 0.53
NAMPT P43490 1/20 0.52
TRPV1 Q8NER1 1/20 0.51

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
SCHEMBL7070524 0.88 STAT3 (0.52) CNR1CNR2STAT3EPHX2HDAC4
SCHEMBL7649408 0.86 DGAT1 (0.58) MAPTHDAC4NAMPT
SCHEMBL7648133 0.85 MAPT (0.59) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7654301 0.83 MAPT (0.56) MAPTTRPV1
SCHEMBL7075832 0.81 L3MBTL1 (0.54) CNR1STAT3HDAC4HDAC6HDAC2
SCHEMBL10253402 0.79 CNR2 (0.88) CNR1CNR2PRKAB2PRKAG1PRKAA2
SCHEMBL7074329 0.79 MAPT (0.59) MAPTNAMPT
SCHEMBL7070014 0.78 GPR119 (0.61) MAPTHDAC4NAMPT
SCHEMBL7389203 0.78 MAPT (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7074046 0.77 HDAC4 (0.57) STAT3EPHX2HDAC4HDAC6HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492368-B1 Benzamidine derivatives as factor XA inhibitors MERCK PATENT GMBH (DE) 2002-12-10 US disclosed