SCHEMBL10558462

SCHEMBL10558462

C=Cc1cccc2ccccc12.CCC=Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.46
DRD2 P14416 1/20 0.46
ADRA2C P18825 1/20 0.46
CNR1 P21554 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2A P28223 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRK1 P41145 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46
EBP Q15125 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL28173278 0.89 HTR2A (0.43) HTR2ASIGMAR1MEN1TSHRKMT2A
SCHEMBL688770 0.89 HTR2A (0.43) HTR2ASIGMAR1MEN1TSHRKMT2A
Styrene SCHEMBL688121 0.85 ALDH1A1 (0.50) HTR2ASIGMAR1MEN1TSHRKMT2A
SCHEMBL17313675 0.85 NR1I2 (0.43) NR1I2DRD2ADRA2CCNR1SLC6A2
SCHEMBL6169645 0.83 CHAT (0.47) NR1I2DRD2ADRA2CCNR1SLC6A2
SCHEMBL6543156 0.81 ALDH1A1 (0.38) HTR2AMEN1LMNATSHRKMT2A
SCHEMBL15421494 0.81 HTR2A (0.38) HTR2ASIGMAR1MEN1TSHRKMT2A
Phenol SCHEMBL27697263 0.81 TRPA1 (0.41) HTR2AMEN1TSHRKMT2A
SCHEMBL615455 0.80 SMPD2 (0.51) CHATSMPD2
SCHEMBL615456 0.80 SMPD2 (0.51) CHATSMPD2

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-4868082-A CHARGE CONTROL, ELECTROSTATICS MINOLTA CAMERA KABUSHIKI KAISHA (JP) 1989-09-19 US disclosed