SCHEMBL7934235

SCHEMBL7934235

C=CCCc1cccc2c1-c1ccccc1C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 1/20 0.43
PNMT P11086 1/20 0.39
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
MAOA P21397 1/20 0.36
POLB P06746 1/20 0.35
HTR2B P41595 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
MAPT P10636 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 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
SCHEMBL7189694 0.86 DRD3 (0.51) DRD2DRD4DRD3PNMTADRA1A
SCHEMBL5541932 0.81 DRD2 (0.46) DRD2DRD4DRD3PNMTMAOA
SCHEMBL2313142 0.78 DRD2 (0.46) DRD2DRD4DRD3PNMTMAOA
SCHEMBL5540652 0.78 DRD3 (0.48) DRD2DRD4DRD3PNMTADRA1A
SCHEMBL7184376 0.77 DRD2 (0.50) DRD2DRD4DRD3PNMTMAOA
SCHEMBL9162757 0.75 DRD2 (0.44) DRD2DRD4DRD3PNMTMAOA
SCHEMBL24631301 0.74 DRD2 (0.46) DRD2DRD4DRD3PNMTADRA1D
SCHEMBL2416249 0.74 LIPG (0.44) DRD2DRD4DRD3PNMTALDH1A1
SCHEMBL21694426 0.74 DRD2 (0.48) DRD2DRD4DRD3PNMTMAOA
SCHEMBL16792809 0.74 PNMT (0.62) DRD2DRD4DRD3PNMTMAOA

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
US-6239300-B1 Metallocene production process PHILLIPS PETROLEUM COMPANY 2001-05-29 US disclosed