SCHEMBL5163033

SCHEMBL5163033

CCc1nc2ccc(-c3ccccc3Cl)c(CN)c2n1C.Cn1c(-c2cccnc2)nc2ccc(-c3ccccc3Cl)c(CN)c21

nearest known ligand 0.87

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.87
DPP8 Q6V1X1 10/20 0.87
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL3139301 0.93 DPP4 (1.00) DPP4DPP8CYP11B1CYP11B2TP53
SCHEMBL3143840 0.86 DPP4 (1.00) DPP4DPP8
SCHEMBL3135758 0.75 DPP4 (0.68) DPP4DPP8CYP11B1CYP11B2TP53
SCHEMBL3144355 0.75 DPP4 (1.00) DPP4DPP8
SCHEMBL3153018 0.75 DPP4 (1.00) DPP4DPP8
SCHEMBL3144437 0.65 DPP4 (1.00) DPP4DPP8
SCHEMBL3154186 0.65 DPP4 (1.00) DPP4DPP8
SCHEMBL10175447 0.64 CYP11B2 (0.60) DPP4DPP8CYP11B1CYP11B2
SCHEMBL30663918 0.62 CYP11B2 (0.54) DPP4DPP8CYP11B1CYP11B2
SCHEMBL26603247 0.62 CYP11B2 (0.54) DPP4DPP8CYP11B1CYP11B2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753730-A1 DIPEPTIDYL PEPTIDASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2007-02-21 EP claimed
WO-2005118555-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-15 WO claimed