SCHEMBL9732206

SCHEMBL9732206

CC(=O)N1C(C#N)C[C@H]2CCCCC[C@H]21

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.45
DPP8 Q6V1X1 6/20 0.45
DPP9 Q86TI2 6/20 0.45
DPP7 Q9UHL4 3/20 0.44
FAP Q12884 3/20 0.44
CYP3A4 P08684 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL9732210 1.00 DPP4 (0.45) DPP4DPP8DPP9DPP7FAP
SCHEMBL10794375 0.98 DPP4 (0.46) DPP4DPP8DPP9DPP7FAP
SCHEMBL8291743 0.98 DPP4 (0.46) DPP4DPP8DPP9DPP7FAP
SCHEMBL10793158 0.95 DPP4 (0.49) DPP4DPP8DPP9DPP7FAP
SCHEMBL9731905 0.95 DPP4 (0.49) DPP4DPP8DPP9DPP7FAP
SCHEMBL10798391 0.95 DPP4 (0.49) DPP4DPP8DPP9DPP7FAP
SCHEMBL9731907 0.95 DPP4 (0.49) DPP4DPP8DPP9DPP7FAP
SCHEMBL8445420 0.82 DPP4 (0.41) DPP4DPP8DPP9DPP7FAP
SCHEMBL15800753 0.81 DPP4 (0.59) DPP4CYP3A4
SCHEMBL13552351 0.81 DPP4 (0.59) DPP4CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5101039-A Carboxyindoles, hypotensive agents, inhibitors of angiotensin converting enzyme HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-31 US disclosed
US-5008400-A Chemical intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-16 US disclosed
US-4933361-A HYPOTENSIVE AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-12 US disclosed
EP-0170775-B1 DERIVATIVES OF BICYCLIC AMINO ACIDS, PROCESSES FOR THEIR PREPARATION, AGENTS CONTAINING THEM AND THEIR USE AS WELL AS BICYCLIC AMINO ACIDS AS INTERMEDIATES AND PROCESS FOR THEIR PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1989-11-08 EP disclosed
EP-0170775-A1 Derivatives of bicyclic amino acids, processes for their preparation, agents containing them and their use as well as bicyclic amino acids as intermediates and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1986-02-12 EP disclosed
EP-0084164-A2 Derivatives of bicyclic amino acids, process for their preparation, agents containing them and their use, as well as bicyclic amino acids as intermediates, and process for preparing them HOECHST AKTIENGESELLSCHAFT (DE) 1983-07-27 EP disclosed