SCHEMBL6232060

SCHEMBL6232060

Nc1ccc2cc(C(=O)N3CCCC3)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
KDM4E B2RXH2 1/20 0.59
HPGD P15428 8/20 0.56
ALDH1A1 P00352 2/20 0.56
TSHR P16473 3/20 0.53
HRH3 Q9Y5N1 2/20 0.52
AKR1C1 Q04828 1/20 0.51
DPP4 P27487 1/20 0.51
DPP8 Q6V1X1 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL22622336 0.89 L3MBTL3 (0.70) L3MBTL3L3MBTL1HPGDALDH1A1TSHR
SCHEMBL14320950 0.86 PKM (0.57) L3MBTL1KDM4EHPGDALDH1A1TSHR
SCHEMBL6899447 0.83 HPGD (0.61) L3MBTL3L3MBTL1HPGDALDH1A1TSHR
SCHEMBL7218802 0.83 HPGD (0.73) L3MBTL3L3MBTL1HPGDALDH1A1TSHR
SCHEMBL264516 0.82 HPGD (0.76) L3MBTL3L3MBTL1KDM4EHPGDALDH1A1
SCHEMBL10197843 0.81 HPGD (0.71) L3MBTL3L3MBTL1KDM4EHPGDALDH1A1
SCHEMBL4503263 0.81 L3MBTL3 (0.60) L3MBTL3L3MBTL1HPGDALDH1A1TSHR
SCHEMBL29941490 0.81 HPGD (0.71) L3MBTL3L3MBTL1KDM4EHPGDALDH1A1
SCHEMBL1590985 0.80 HPGD (0.80) KDM4EHPGDALDH1A1TSHRCA12
SCHEMBL12156421 0.80 HPGD (0.80) KDM4EHPGDALDH1A1TSHRCA12

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-2004092181-A9 HETEROCYCLIC MCHR1 ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-01-27 WO disclosed