SCHEMBL9901341

SCHEMBL9901341

CC(C)C(N)C(=O)N1CC(C#N)C1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 16/20 0.50
▸ DPP7 Q9UHL4 7/20 0.40
▸ DPP8 Q6V1X1 6/20 0.40
▸ DPP9 Q86TI2 5/20 0.40
▸ FAP Q12884 4/20 0.40
▸ PREP P48147 2/20 0.37
▸ PITRM1 Q5JRX3 1/20 0.37
▸ HCRTR2 O43614 1/20 0.37
▸ ARG1 P05089 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
SCHEMBL28132789 0.85 DPP4 (0.47) DPP4DPP8DPP9HCRTR2
SCHEMBL2455912 0.85 DPP4 (0.47) DPP4DPP8DPP9HCRTR2
Hydrochloric Acid SCHEMBL14737849 0.84 DPP4 (0.46) DPP4DPP8DPP9HCRTR2ARG1
SCHEMBL19981814 0.83 DPP4 (0.55) DPP4DPP7DPP8DPP9FAP
SCHEMBL14790967 0.81 CHRNB2 (0.52) DPP4HCRTR2
SCHEMBL28133450 0.81 DPP4 (0.51) DPP4DPP7DPP8DPP9FAP
SCHEMBL14655442 0.81 DPP4 (0.51) DPP4DPP7DPP8DPP9FAP
SCHEMBL16665410 0.79 JAK2 (0.34) DPP4HCRTR2
SCHEMBL15203524 0.78 DPP4 (0.56) DPP4DPP7DPP8DPP9HCRTR2
SCHEMBL14737248 0.77 DPP4 (0.40) DPP4DPP7DPP8DPP9FAP

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
WO-2012078802-A1 PREPARATION OF SUBSTITUTED-4,5-DIHYDROPYRROLO[4,3,2-de][2,6]NAPHTHYRIDIN-3(1H)-ONES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-14 — — WO disclosed
Send feedback