SCHEMBL6161194

SCHEMBL6161194

CCOC(=O)C(N)Cc1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.47
FAP Q12884 2/20 0.47
DPP8 Q6V1X1 2/20 0.47
DPP9 Q86TI2 2/20 0.47
DPP7 Q9UHL4 2/20 0.47
CYP2A6 P11509 1/20 0.44
RAB9A P51151 1/20 0.43
TPH1 P17752 1/20 0.42
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAOB P27338 1/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CTSG P08311 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
GPR142 Q7Z601 1/20 0.40

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
SCHEMBL5109806 1.00 DPP4 (0.47) DPP4FAPDPP8DPP9DPP7
Hydrochloric Acid SCHEMBL5112988 0.98 DPP4 (0.46) DPP4FAPDPP8DPP9DPP7
Hydrochloric Acid SCHEMBL5148984 0.98 DPP4 (0.46) DPP4FAPDPP8DPP9DPP7
SCHEMBL7960935 0.87 SLC7A5 (0.48) TPH1ALDH1A1
SCHEMBL5569674 0.86 DPP4 (0.48) DPP4FAPDPP8DPP9DPP7
SCHEMBL14938754 0.86 DPP4 (0.48) DPP4FAPDPP8DPP9DPP7
SCHEMBL16060347 0.86 DPP4 (0.48) DPP4FAPDPP8DPP9DPP7
SCHEMBL7529709 0.86 ACACB (0.46) DPP4FAPDPP8DPP9DPP7
Hydrochloric Acid SCHEMBL5569672 0.85 ALDH1A1 (0.49) DPP4FAPDPP8DPP9DPP7
SCHEMBL5635196 0.85 DPP4 (0.47) DPP4FAPDPP8DPP9DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1210335-B1 AMINOCARBONYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCING SAME AND THE USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2005-09-14 EP disclosed
US-6512000-B1 Aminocarbonyl- substituted benzimidazole derivatives for the treatment of diseases in which inhibition of tryptase is of therapeutic such as for treating an inflammatory or allergic disease BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-01-28 US disclosed
US-5714497-A EXHIBIT AFFINITY FOR BIOLOGICAL RECEPTORS OF NEUROPEPTIDE Y SANOFI (FR) 1998-02-03 US disclosed
US-5674890-A HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS; PSYCHOLOGICAL DISORDERS; ANTAGONISTS OF PEPTIDE Y SANOFI (FR) 1997-10-07 US disclosed
US-5506258-A EXHIBIT AFFINITY FOR THE BIOLOGICAL RECEPTORS OF NEUROPEPTIDES Y, WHICH ARE PRESENT IN THE CENTRAL AND PERIPHERAL NERVOUS SYSTEMS ELF SANOFI (FR) 1996-04-09 US disclosed