SCHEMBL8439145

SCHEMBL8439145

CC1(C)CCCC(C)(C)N1OCCc1ccccc1C(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD3 P35462 1/20 0.40
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
CYP19A1 P11511 1/20 0.38
ABCB1 P08183 1/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
PGR P06401 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
SLC6A2 P23975 1/20 0.36
PDE4A P27815 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
HRH1 P35367 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL7527387 0.78 HRH3 (0.43)
SCHEMBL2512584 0.76 TP53 (0.43) SCN1ASCN2ASCN3AALDH1A1HTT
SCHEMBL4621770 0.74 DHFR (0.43) ALDH1A1SLC6A3
SCHEMBL12200810 0.72 GAA (0.41) LMNAALDH1A1HPGDMAPK1L3MBTL1
SCHEMBL28423359 0.72 AKR1C3 (0.59) CYP19A1ALDH1A1L3MBTL1AKR1C3GAA
SCHEMBL7027549 0.72 DRD2 (0.41) DRD2DRD1DRD3ABCB1LMNA
SCHEMBL2517872 0.71 ALDH1A1 (0.46) LMNAALDH1A1HPGDHTTGAA
SCHEMBL23038404 0.70 SLC6A3 (0.34) SLC6A3
SCHEMBL6498977 0.70 ELANE (0.49) ABCB1LMNAALDH1A1HPGDL3MBTL1
SCHEMBL7252078 0.69 AKR1C3 (0.52) CYP19A1ABCB1ALDH1A1HPGDL3MBTL1

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-0960909-A2 Polymeric compositions Enichem S.p.A. (IT) 1999-12-01 EP disclosed