SCHEMBL23680935

SCHEMBL23680935

NCC(=O)NC(C(=O)N1CCC[C@H]1C(N)=O)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.43
F2 P00734 2/20 0.38
REN P00797 1/20 0.38
DPP8 Q6V1X1 2/20 0.37
DPP7 Q9UHL4 2/20 0.37
FAP Q12884 1/20 0.37
DPP9 Q86TI2 1/20 0.37
BIRC2 Q13490 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL27375418 0.86 DPP4 (0.41) DPP4F2RENBIRC2
SCHEMBL10704033 0.81 REN (0.45) F2RENFAPKDM4E
SCHEMBL29396071 0.79 BIRC2 (0.52) BIRC2
SCHEMBL20234748 0.79 BIRC2 (0.52) BIRC2
SCHEMBL29860395 0.78 CAPN1 (0.43) F2RENKDM4E
Bromide SCHEMBL30010259 0.78 BIRC2 (0.51) BIRC2
SCHEMBL23904781 0.77 DPP4 (0.44) DPP4DPP7
SCHEMBL21307631 0.77 DPP4 (0.39) DPP4F2RENBIRC2
SCHEMBL13049763 0.76 DPP4 (0.61) DPP4DPP8DPP7FAPDPP9
SCHEMBL10304320 0.76 F2 (0.47) DPP4F2RENDPP8DPP7

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-2021148396-A1 EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2021-07-29 WO disclosed