SCHEMBL3595651

SCHEMBL3595651

CCCCCCn1cnc(-c2ccc(Cl)cc2Cl)c1C(C)N

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 11/20 0.41
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
CNR1 P21554 4/20 0.39
HSD11B1 P28845 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
SCHEMBL3607967 0.99 DPP4 (0.41) CRHR1DPP4DPP8CNR1HSD11B1
SCHEMBL3601942 0.90 DPP4 (0.38) CRHR1DPP4DPP8CNR1HSD11B1
SCHEMBL3601200 0.90 TP53 (0.38) CRHR1DPP4DPP8HSD11B1
SCHEMBL3599359 0.84 CXCR2 (0.40) DPP4DPP8CNR1HSD11B1
SCHEMBL3600935 0.84 TP53 (0.45) CRHR1DPP4DPP8HSD11B1
SCHEMBL3597273 0.83 CXCR2 (0.40) DPP4DPP8CNR1HSD11B1
SCHEMBL3599200 0.82 DPP4 (0.46) CRHR1DPP4DPP8CNR1HSD11B1
SCHEMBL3604507 0.81 DPP4 (0.47) CRHR1DPP4DPP8CNR1HSD11B1
SCHEMBL3594733 0.81 CXCR2 (0.44) DPP4DPP8CNR1HSD11B1
SCHEMBL3600919 0.80 MDM4 (0.42) DPP4DPP8CNR1HSD11B1

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