SCHEMBL25834858

SCHEMBL25834858

CN1CC2=C(C=CCC2)Cc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.33
DRD1 P21728 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
DRD5 P21918 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HTR2A P28223 2/20 0.32
LMNA P02545 2/20 0.32
TP53 P04637 2/20 0.32
CYP3A4 P08684 2/20 0.32
USP2 O75604 2/20 0.32
HTR7 P34969 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL13568394 0.75 DRD2 (0.34) DRD2DRD1DRD4DRD3MAOA
SCHEMBL8663476 0.75 CYP1A2 (0.34) DRD2DRD1DRD4DRD3MAOA
SCHEMBL22044322 0.72 DRD1 (0.34) DRD2DRD1DRD4DRD3MAOA
SCHEMBL29520167 0.72 CYP2A6 (0.41) DRD2DRD1DRD4DRD3MAOA
SCHEMBL2616329 0.69 DRD3 (0.48) DRD2DRD1DRD4DRD3MAOA
SCHEMBL21913839 0.69 SLC6A4 (0.32) DRD2DRD1DRD3HTR2AHTR7
SCHEMBL18034998 0.68
SCHEMBL22879429 0.67 CYP1A2 (0.38) DRD1DRD3HTR2ALMNACYP3A4
SCHEMBL2051982 0.66 CYP1A2 (0.48) KMT2AALDH1A1HTR7CYP1A2HTR1A
SCHEMBL16844666 0.66 ALDH1A1 (0.38) DRD2DRD1DRD4DRD3MAOA

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-3483141-B1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, AND OPTICALLY ANISOTROPIC MATERIAL ZEON CORP (JP) 2023-07-19 EP disclosed