SCHEMBL3600802

SCHEMBL3600802

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

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.44
DPP8 Q6V1X1 3/20 0.43
NSD2 O96028 1/20 0.39
CNR1 P21554 1/20 0.38
CXCR2 P25025 1/20 0.37
PSMB2 P49721 1/20 0.37

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
SCHEMBL3602753 0.93 DPP4 (0.41) DPP4DPP8NSD2CNR1CXCR2
SCHEMBL3606760 0.93 DPP4 (0.44) DPP4DPP8NSD2CNR1
SCHEMBL3600269 0.93 DPP4 (0.41) DPP4DPP8NSD2CNR1CXCR2
SCHEMBL3604955 0.93 DPP4 (0.48) DPP4DPP8CNR1CXCR2PSMB2
SCHEMBL3595753 0.90 DPP4 (0.47) DPP4DPP8NSD2CNR1CXCR2
SCHEMBL3586864 0.89 DPP4 (0.45) DPP4DPP8CNR1CXCR2
SCHEMBL3091375 0.88 DPP4 (0.47) DPP4DPP8NSD2CNR1CXCR2
SCHEMBL3096850 0.88 DPP4 (0.44) DPP4DPP8NSD2
SCHEMBL3585733 0.86 DPP4 (0.46) DPP4DPP8CNR1CXCR2
SCHEMBL3583003 0.85 DPP4 (0.42) DPP4DPP8CXCR2

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