SCHEMBL5107097

SCHEMBL5107097

Cc1ccc(-c2ccoc2C(=O)NC2CCN(CCC3(CCC(C(=O)O)(C(=O)O)C(=O)O)CCCCC3)CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
MCHR1 Q99705 5/20 0.35
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
CNR1 P21554 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
S1PR1 P21453 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
DRD1 P21728 1/20 0.33
TBXA2R P21731 1/20 0.33
PTGS1 P23219 1/20 0.33

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
SCHEMBL4691029 0.91 L3MBTL1 (0.35) L3MBTL1MCHR1ALDH1A1POLBCNR1
SCHEMBL4690432 0.89 MCHR1 (0.39) L3MBTL1MCHR1CARM1PRMT6ALDH1A1
SCHEMBL4693190 0.89 L3MBTL1 (0.39) L3MBTL1MCHR1CARM1PRMT6ALDH1A1
SCHEMBL4687554 0.88 L3MBTL1 (0.38) L3MBTL1MCHR1CARM1PRMT6ALDH1A1
SCHEMBL4688285 0.88 L3MBTL1 (0.36) L3MBTL1MCHR1CARM1PRMT6ALDH1A1
SCHEMBL4687466 0.87 L3MBTL1 (0.34) L3MBTL1MCHR1CARM1PRMT6NPC1
SCHEMBL4691461 0.86 MCHR1 (0.38) L3MBTL1MCHR1ALDH1A1CNR1NPC1
SCHEMBL1848745 0.85 ALDH1A1 (0.41) L3MBTL1MCHR1CARM1PRMT6ALDH1A1
SCHEMBL4691176 0.84 KCNA3 (0.38) L3MBTL1MCHR1ALDH1A1KMT2AHRH3
SCHEMBL4687521 0.84 MCHR1 (0.32) L3MBTL1MCHR1ALDH1A1POLBNPC1

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