SCHEMBL3393734

SCHEMBL3393734

CCC1(NCC(=O)N2CCCC2C#N)CC2CN(C(=O)N(C)C)CC2C1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.78
DPP8 Q6V1X1 5/20 0.78
DPP9 Q86TI2 5/20 0.78
PREP P48147 1/20 0.47
FAP Q12884 1/20 0.47

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
SCHEMBL3759598 1.00 DPP4 (0.78) DPP4DPP8DPP9PREPFAP
SCHEMBL18098588 1.00 DPP4 (0.78) DPP4DPP8DPP9PREPFAP
SCHEMBL13000720 1.00 DPP4 (0.78) DPP4DPP8DPP9PREPFAP
Cadaverine Tartrate SCHEMBL3393637 0.94 DPP4 (0.69) DPP4DPP8DPP9PREP
Cadaverine Tartrate SCHEMBL3759430 0.94 DPP4 (0.69) DPP4DPP8DPP9PREP
SCHEMBL13070580 0.89 DPP4 (0.70) DPP4DPP8DPP9
SCHEMBL13057146 0.89 DPP4 (0.73) DPP4DPP8DPP9
SCHEMBL3759440 0.88 DPP4 (1.00) DPP4DPP8DPP9PREPFAP
SCHEMBL18098616 0.88 DPP4 (1.00) DPP4DPP8DPP9PREPFAP
SCHEMBL13000689 0.88 DPP4 (1.00) DPP4DPP8DPP9PREPFAP

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-2246347-B1 DICYCLOAZAALKANE DERIVATES, PREPARATION PROCESSES AND MEDICAL USES THEREOF SHANGHAI HENGRUI PHARM CO LTD (CN) 2016-09-28 EP disclosed
EP-2246347-A1 DICYCLOAZAALKANE DERIVATES, PREPARATION PROCESSES AND MEDICAL USES THEREOF Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2010-11-03 EP disclosed