SCHEMBL6209503

SCHEMBL6209503

O=C(NCCCCC(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccc[nH]c1=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.41
CHRM4 P08173 4/20 0.39
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL6210471 0.87 LMNA (0.40) DPP4NPC1RAB9ALMNA
SCHEMBL6209599 0.87 PLD2 (0.36) DPP4DRD2DRD3
SCHEMBL6211807 0.85 DPP4 (0.42) DPP4CHRM4KDM4EALDH1A1POLB
SCHEMBL6211156 0.85 CHRM4 (0.41) DPP4CHRM4DRD2DRD3
SCHEMBL6210811 0.81 CHRM4 (0.40) DPP4CHRM4KDM4EALDH1A1POLB
SCHEMBL6211640 0.79 KDM4E (0.33) CHRM4KDM4EALDH1A1POLBNPC1
SCHEMBL6210722 0.79 CHRM4 (0.42) DPP4CHRM4
SCHEMBL6209845 0.79 DPP4 (0.30) DPP4NPC1
SCHEMBL6209435 0.78 CTSK (0.42)
SCHEMBL6210146 0.76 CHRM2 (0.41) DPP4DRD2DRD3

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-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed