SCHEMBL3595932

SCHEMBL3595932

COc1ccc(Cn2cnc(-c3ccc(Cl)cc3Cl)c2CN)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.49
CXCR2 P25025 2/20 0.47
CNR1 P21554 2/20 0.47
DPP8 Q6V1X1 6/20 0.43
DPP9 Q86TI2 4/20 0.43
CYP3A4 P08684 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
QPCT Q16769 1/20 0.38

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
SCHEMBL3595753 0.90 DPP4 (0.47) DPP4CXCR2CNR1DPP8DPP9
SCHEMBL3091375 0.89 DPP4 (0.47) DPP4CXCR2CNR1DPP8CYP3A4
SCHEMBL3091438 0.89 CXCR2 (0.51) DPP4CXCR2DPP8DPP9MAPT
SCHEMBL3605962 0.88 DPP4 (0.41) DPP4DPP8MEN1KMT2AQPCT
SCHEMBL3091436 0.87 DPP4 (0.46) DPP4CNR1DPP8DPP9CYP3A4
SCHEMBL3595101 0.86 DPP4 (0.43) DPP4CXCR2DPP8DPP9CYP3A4
SCHEMBL3596138 0.86 DPP4 (0.40) DPP4DPP8
SCHEMBL3102277 0.85 DPP4 (0.44) DPP4DPP8TP53LMNAMAPK1
SCHEMBL3096840 0.85 DPP4 (0.46) DPP4CNR1DPP8DPP9CYP3A4
SCHEMBL3595741 0.85 DPP4 (0.44) DPP4CXCR2CNR1DPP8DPP9

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