SCHEMBL1031944

SCHEMBL1031944

COc1ccc(Cn2cc(C)c(C(=O)c3ccc(C)cc3)c2C(=O)N2CCN(C(=O)c3ccc(C)cc3)C(C)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 5/20 0.46
DRD3 P35462 2/20 0.46
DRD2 P14416 1/20 0.46
CPS1 P31327 1/20 0.42
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GPR183 P32249 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
LSS P48449 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
SCHEMBL1031081 0.83 ALDH1A1 (0.48) TP53GPR183ALDH1A1LMNAGAA
SCHEMBL1029933 0.78 ALDH1A1 (0.58) ALDH1A1LMNAMEN1KMT2A
SCHEMBL1029484 0.76 HSD11B1 (0.47) L3MBTL1ALDH1A1
SCHEMBL1031438 0.75 TP53 (0.46) DRD3TP53HTTALDH1A1LMNA
SCHEMBL1031811 0.74 HPGD (0.54) TP53HTTALDH1A1LMNAKDM4E
SCHEMBL1028175 0.73 TP53 (0.52) TP53HTTALDH1A1LMNAMEN1
SCHEMBL1030249 0.72 ALDH1A1 (0.46) HTTL3MBTL1GPR183ALDH1A1LMNA
SCHEMBL19284240 0.72 GHSR (0.64) GHSRDRD3DRD2CPS1HTT
SCHEMBL1032620 0.72 HTT (0.53) TP53HTTALDH1A1LMNAMEN1
SCHEMBL26828138 0.72 DRD3 (0.61) GHSRDRD3DRD2CPS1HTT

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
EP-2035375-B1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2011-01-19 EP claimed