SCHEMBL5120180

SCHEMBL5120180

Cc1ccc(NC2CCN(CCC3(CCC(C(=O)O)(C(=O)O)C(=O)O)CCCCC3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRM3 P20309 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CCR5 P51681 3/20 0.36
LMNA P02545 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL4690461 0.89 LMNA (0.41) CA12CA1CA2CA4CA5A
SCHEMBL4690037 0.86 CA12 (0.44) CA12CA1CA2CA4CA5A
SCHEMBL5113198 0.86 CA12 (0.44) CA12CA1CA2CA4CA5A
SCHEMBL4688105 0.85 CA12 (0.46) CA12CA1CA2CA4CA5A
SCHEMBL4688058 0.85 CA12 (0.44) CA12CA1CA2CA4CA5A
SCHEMBL4687937 0.84 CA12 (0.46) CA12CA1CA2CA4CA5A
SCHEMBL4686684 0.84 CA12 (0.46) CA12CA1CA2CA4CA5A
SCHEMBL4692616 0.83 CA12 (0.44) CA12CA1CA2CA4CA5A
SCHEMBL14088923 0.82 CA12 (0.45) CA12CA1CA2CA4CA5A
SCHEMBL1845862 0.81 CA12 (0.45) CA12CA1CA2CA4CA5A

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
US-7375115-B2 4-(2-furoyl) aminopiperidines, intermediates in synthesizing the same, process for producing the same and medicinal use of the same KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-05-20 US disclosed