SCHEMBL28140231

SCHEMBL28140231

C[C](C)Cc1cccc2c1-c1ccccc1C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
DRD4 P21917 1/20 0.45
PNMT P11086 1/20 0.41
HTR2B P41595 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAOA P21397 2/20 0.38
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
ADRA2A P08913 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
CYP1A2 P05177 1/20 0.36
HTR2C P28335 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL9940488 0.81 AKR1B1 (0.47) DRD2DRD3DRD4PNMTHTR2B
SCHEMBL7189694 0.81 DRD3 (0.51) DRD2DRD3DRD4PNMTHTR2B
SCHEMBL21694426 0.80 DRD2 (0.48) DRD2DRD3DRD4PNMTHTR2B
SCHEMBL2965407 0.80 DRD2 (0.48) DRD2DRD3DRD4PNMTHTR2B
SCHEMBL7184376 0.80 DRD2 (0.50) DRD2DRD3DRD4PNMTHTR2B
SCHEMBL2313142 0.77 DRD2 (0.46) DRD2DRD3DRD4PNMTHTR2B
SCHEMBL16792809 0.77 PNMT (0.62) DRD2DRD3DRD4PNMTHTR2B
SCHEMBL5540652 0.77 DRD3 (0.48) DRD2DRD3DRD4PNMTHTR2B
SCHEMBL28747863 0.77 DRD3 (0.48) DRD2DRD3DRD4PNMTHTR2B
SCHEMBL9762612 0.77 DRD2 (0.48) DRD2DRD3DRD4PNMTHTR2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106866850-A Acrylic polymers and formed body 三井化学株式会社 2017-06-20 CN disclosed
CN-104662030-B Transition metal compound, catalyst for olefin polymerization, and process for producing olefin polymer 三井化学株式会社 2017-05-17 CN disclosed
CN-104662050-B Process for producing olefin polymer and olefin polymer 三井化学株式会社 2017-03-22 CN disclosed