SCHEMBL9034346

SCHEMBL9034346

CC(=O)c1cc(C)cc(NC(=O)CCCN2CCC(OCc3ncccc3-c3ccc(Cl)cc3)CC2)c1O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
DRD4 P21917 3/20 0.37
DRD3 P35462 3/20 0.37
SIGMAR1 Q99720 2/20 0.37
TMEM97 Q5BJF2 1/20 0.37
CACNA1G O43497 8/20 0.36
DRD2 P14416 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
CARM1 Q86X55 2/20 0.35
PRMT6 Q96LA8 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL1287484 0.79 BCHE (0.47) BCHECARM1PRMT6
SCHEMBL9032359 0.79 BCHE (0.43) BCHEDRD4DRD3DRD2
SCHEMBL8727056 0.73 BCHE (0.44) BCHEDRD2CARM1PRMT6MEN1
SCHEMBL28087406 0.66 KCNK3 (0.37) CACNA1G
SCHEMBL9535263 0.65 CARM1 (0.52) BCHECARM1PRMT6
SCHEMBL10486946 0.65 LMNA (0.46) RXFP1DRD2
SCHEMBL15467458 0.64 SLC6A2 (0.41)
SCHEMBL7754987 0.63 BCHE (0.46) BCHECARM1PRMT6
SCHEMBL17842010 0.59 DRD2 (0.50) DRD3DRD2
SCHEMBL9352867 0.59 CARM1 (0.54) BCHEDRD3CARM1PRMT6

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-0485984-B1 Diarylmethoxypiperidine derivatives UBE INDUSTRIES (JP) 1996-04-24 EP disclosed