SCHEMBL3600280

SCHEMBL3600280

NCc1c(-c2ccc(Cl)cc2Cl)ncn1CCOCCO

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.41
DPP8 Q6V1X1 5/20 0.40
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
CNR1 P21554 2/20 0.35
CYP3A4 P08684 2/20 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
SCHEMBL3600930 0.88 DPP4 (0.46) DPP4DPP8CYP3A4
SCHEMBL3596892 0.86 DPP4 (0.44) DPP4DPP8CYP3A4
SCHEMBL3601749 0.85 DPP4 (0.47) DPP4DPP8NPC1LMNAPKM
SCHEMBL3088284 0.84 DPP4 (0.43) DPP4DPP8CNR1CYP3A4
SCHEMBL3601327 0.84 DPP4 (0.43) DPP4DPP8CNR1CYP3A4
SCHEMBL3601689 0.82 DPP4 (0.46) DPP4DPP8NPC1LMNAPKM
SCHEMBL3091767 0.81 DPP4 (0.50) DPP4DPP8CNR1
SCHEMBL3600855 0.80 DPP4 (0.45) DPP4DPP8CYP3A4
SCHEMBL3600802 0.79 DPP4 (0.44) DPP4DPP8CNR1
SCHEMBL3096850 0.79 DPP4 (0.44) DPP4DPP8CYP3A4

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-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US claimed