SCHEMBL7976372

SCHEMBL7976372

CC(N)C(=O)N1CCCCCN1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.49
DPP4 P27487 5/20 0.37
DPP7 Q9UHL4 3/20 0.37
FAP Q12884 2/20 0.37
PREP P48147 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
CA2 P00918 1/20 0.34
CHKA P35790 1/20 0.34
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL28175689 0.98 MMP3 (0.50) MMP3DPP4DPP7FAPPREP
SCHEMBL28175688 0.98 MMP3 (0.50) MMP3DPP4DPP7FAPPREP
SCHEMBL18347968 0.82 MMP3 (0.53) MMP3DPP4CA2CHKACHRM5
SCHEMBL2505898 0.74 MMP3 (0.41) MMP3CA2CHKA
SCHEMBL2382694 0.74 CA2 (0.40) MMP3DPP4CA2CHKA
SCHEMBL25794713 0.74 MMP3 (0.46) MMP3DPP4
SCHEMBL3466500 0.73 CA2 (0.43) MMP3CA2CHKA
SCHEMBL1919225 0.73 CA2 (0.43) MMP3CA2CHKA
SCHEMBL21013611 0.73 MMP3 (0.44) MMP3DPP4CHRM5CHRM3
SCHEMBL20299686 0.73 KCNQ2 (0.43) MMP3

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
WO-2001066534-A2 CYCLIC AND BICYCLIC DIAMINO HISTAMINE-3 RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2001-09-13 WO claimed
WO-2001066534-A2 CYCLIC AND BICYCLIC DIAMINO HISTAMINE-3 RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2001-09-13 WO disclosed