SCHEMBL747718

SCHEMBL747718

COC(=O)NCC(C)CC(=O)N1CCCC1CNC(=O)c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.47
CHRNB2 P17787 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
DRD2 P14416 3/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
MCHR2 Q969V1 1/20 0.39
MCHR1 Q99705 1/20 0.39

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
SCHEMBL2707747 0.80 PREP (0.46) DPP4CHRNB2CHRNA7CHRNA4DRD2
SCHEMBL203889 0.80 PREP (0.46) DPP4CHRNB2CHRNA7CHRNA4DRD2
SCHEMBL749251 0.76 KCNH2 (0.52)
SCHEMBL14334765 0.75 KCNH2 (0.41) DPP4
SCHEMBL204560 0.74 FPR3 (0.60) CHRNB2CHRNA7CHRNA4DRD2CTSL
SCHEMBL2706908 0.74 FPR3 (0.60) CHRNB2CHRNA7CHRNA4DRD2CTSL
SCHEMBL748770 0.72 CYP3A4 (0.59)
SCHEMBL9980163 0.71 CTSL (0.50) CHRNB2CHRNA7CHRNA4DRD2CTSL
SCHEMBL751023 0.70 CYP3A4 (0.42)
SCHEMBL14334764 0.69 EGFR (0.40) DPP4

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-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 EP disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed