SCHEMBL3601749

SCHEMBL3601749

COCCn1cnc(-c2ccc(Cl)cc2Cl)c1CN

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.47
DPP8 Q6V1X1 4/20 0.47
CYP3A4 P08684 2/20 0.47
CRHR1 P34998 8/20 0.41
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 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
SCHEMBL3091767 0.86 DPP4 (0.50) DPP4DPP8CRHR1
SCHEMBL3601689 0.85 DPP4 (0.46) DPP4DPP8CYP3A4NPC1LMNA
SCHEMBL3600280 0.85 DPP4 (0.41) DPP4DPP8CYP3A4NPC1LMNA
SCHEMBL3600930 0.84 DPP4 (0.46) DPP4DPP8CYP3A4CRHR1
SCHEMBL3596963 0.83 DPP4 (0.58) DPP4DPP8CYP3A4
SCHEMBL3604507 0.83 DPP4 (0.47) DPP4DPP8CRHR1
SCHEMBL3096043 0.83 DPP4 (0.45) DPP4DPP8CYP3A4
SCHEMBL3603728 0.83 DPP4 (0.45) DPP4DPP8CYP3A4
SCHEMBL3600855 0.82 DPP4 (0.45) DPP4DPP8CYP3A4
SCHEMBL3595753 0.82 DPP4 (0.47) DPP4DPP8CYP3A4CRHR1LMNA

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