SCHEMBL6580655

SCHEMBL6580655

O=C(Nc1ccc(C2CCN(Cc3ccccc3)CC2)cc1)c1cc(C(F)(F)F)ccc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.56
EPAS1 Q99814 2/20 0.56
CHRM2 P08172 1/20 0.54
CHRM5 P08912 1/20 0.54
CHRM1 P11229 1/20 0.54
CHRM3 P20309 1/20 0.54
NR3C1 P04150 1/20 0.52
UBE2M P61081 2/20 0.50
DCUN1D1 Q96GG9 2/20 0.50
CHRM4 P08173 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49

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
SCHEMBL2589154 0.90 HIF1A (0.59) HIF1AEPAS1CHRM2CHRM5CHRM1
SCHEMBL2586188 0.85 HDAC3 (0.54) CHRM4HDAC3HDAC4HDAC1HDAC7
SCHEMBL17675459 0.83 SIGMAR1 (0.63) UBE2MDCUN1D1SIGMAR1DRD2DRD4
SCHEMBL7806887 0.81 NAMPT (0.56) NR3C1
SCHEMBL7086952 0.76 PLG (0.53)
SCHEMBL7079790 0.76 S1PR1 (0.51) HIF1AEPAS1
SCHEMBL7086631 0.76 NPC1 (0.54)
SCHEMBL5153696 0.76 APOB (0.52)
SCHEMBL2588205 0.75 HIF1A (0.64) HIF1AEPAS1CHRM2FAAH
SCHEMBL7137493 0.75 CYP19A1 (0.49) HIF1AEPAS1NR3C1

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-1379515-A1 LIPID LOWERING BIPHENYLCARBOXAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 2004-01-14 EP disclosed
WO-2002081460-A1 LIPID LOWERING BIPHENYLCARBOXAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 2002-10-17 WO disclosed