SCHEMBL3606760

SCHEMBL3606760

NCc1c(-c2ccc(Cl)cc2Cl)ncn1CCc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.44
CNR1 P21554 4/20 0.42
DPP8 Q6V1X1 4/20 0.40
CYP3A4 P08684 1/20 0.39
DPP9 Q86TI2 1/20 0.39
NSD2 O96028 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3600802 0.93 DPP4 (0.44) DPP4CNR1DPP8NSD2
SCHEMBL3096840 0.90 DPP4 (0.46) DPP4CNR1DPP8CYP3A4DPP9
SCHEMBL3602753 0.89 DPP4 (0.41) DPP4CNR1DPP8NSD2SMN1; SMN2
SCHEMBL3600269 0.89 DPP4 (0.41) DPP4CNR1DPP8CYP3A4NSD2
SCHEMBL3604955 0.88 DPP4 (0.48) DPP4CNR1DPP8CYP3A4DPP9
SCHEMBL3595753 0.86 DPP4 (0.47) DPP4CNR1DPP8CYP3A4DPP9
SCHEMBL3586864 0.85 DPP4 (0.45) DPP4CNR1DPP8CYP3A4
SCHEMBL3096850 0.83 DPP4 (0.44) DPP4DPP8CYP3A4NSD2
SCHEMBL3100277 0.82 DPP4 (0.39) DPP4CNR1DPP8NSD2SMN1; SMN2
SCHEMBL3604409 0.82 DPP4 (0.45) DPP4CNR1DPP8CYP3A4

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