SCHEMBL3394540

SCHEMBL3394540

CN(C)C(=O)N1CC2CC(Cc3ccccc3)(NCC(=O)N3CCCC3C#N)CC2C1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.68
DPP8 Q6V1X1 4/20 0.68
DPP9 Q86TI2 2/20 0.68
PREP P48147 4/20 0.50
DPP7 Q9UHL4 2/20 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
SCHEMBL3769941 1.00 DPP4 (0.68) DPP4DPP8DPP9PREPDPP7
SCHEMBL13057105 1.00 DPP4 (0.68) DPP4DPP8DPP9PREPDPP7
Cadaverine Tartrate SCHEMBL3764011 0.95 DPP4 (0.62) DPP4DPP8DPP9PREPDPP7
Cadaverine Tartrate SCHEMBL3394193 0.95 DPP4 (0.62) DPP4DPP8DPP9PREPDPP7
SCHEMBL18098619 0.89 DPP4 (0.55) DPP4DPP8DPP9PREPDPP7
SCHEMBL3757854 0.85 DPP4 (0.49) DPP4DPP8DPP9PREPDPP7
SCHEMBL3397076 0.85 DPP4 (0.49) DPP4DPP8DPP9PREPDPP7
SCHEMBL13057213 0.85 DPP4 (0.49) DPP4DPP8DPP9PREPDPP7
SCHEMBL13070054 0.85 DPP4 (0.49) DPP4DPP8DPP9PREPDPP7
SCHEMBL18098588 0.85 DPP4 (0.78) DPP4DPP8DPP9PREP

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