SCHEMBL8809779

SCHEMBL8809779

Cc1ccc(-c2ccc(CN(C(=O)Nc3c(C)cc(C)cc3C)C3CCCCCC3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
TP53 P04637 3/20 0.42
UBE2M P61081 6/20 0.42
DCUN1D1 Q96GG9 6/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GCGR P47871 1/20 0.40
GIPR P48546 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL9056936 0.93 GAA (0.50) GAANPSR1TP53UBE2MDCUN1D1
SCHEMBL8808422 0.92 TP53 (0.52) GAANPSR1HRH4HRH3TP53
SCHEMBL8807180 0.92 GAA (0.49) GAANPSR1HRH4HRH3TP53
SCHEMBL8817749 0.92 NPSR1 (0.49) GAANPSR1HRH4HRH3TP53
SCHEMBL8809768 0.91 GAA (0.48) GAANPSR1HRH4HRH3TP53
SCHEMBL8810690 0.89 GAA (0.46) GAANPSR1HRH4HRH3TP53
SCHEMBL8806837 0.88 GAA (0.45) GAANPSR1HRH4HRH3TP53
SCHEMBL8808845 0.88 GAA (0.51) GAANPSR1TP53UBE2MDCUN1D1
SCHEMBL8807213 0.87 USP2 (0.45) GAANPSR1UBE2MDCUN1D1MAPT
SCHEMBL8810366 0.87 ROCK2 (0.55) GAANPSR1

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
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO disclosed