SCHEMBL8664813

SCHEMBL8664813

CC(C)CC1c2ccccc2Sc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.43
CHRM1 P11229 3/20 0.43
ADRA1A P35348 3/20 0.43
DRD3 P35462 3/20 0.43
KCNH2 Q12809 3/20 0.43
OPRM1 P35372 3/20 0.43
LMNA P02545 2/20 0.43
CHRM2 P08172 2/20 0.43
HTR1A P08908 2/20 0.43
ADRA2A P08913 2/20 0.43
DRD1 P21728 2/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
TBXA2R P21731 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
PRCP P42785 1/20 0.38
GRM5 P41594 2/20 0.37
GRM1 Q13255 2/20 0.37

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
SCHEMBL4806041 0.83 PRCP (0.44) CHRM1ADRA1ADRD3KCNH2OPRM1
SCHEMBL6060732 0.77 HTR2A (0.52) CHRM1ADRA1ADRD3KCNH2OPRM1
SCHEMBL13319990 0.77 CYP2D6 (0.46) CYP2D6CHRM1ADRA1ADRD3KCNH2
SCHEMBL7001557 0.72 HTR2A (0.58) CYP2D6CHRM1ADRA1ADRD3KCNH2
SCHEMBL1488972 0.72 BCHE (0.39) CYP2D6CHRM1ADRA1ADRD3KCNH2
SCHEMBL29265310 0.71 CYP2D6 (0.49) CYP2D6CHRM1ADRA1ADRD3KCNH2
SCHEMBL14301412 0.71 MAPT (0.36) CYP2D6CHRM1ADRA1ADRD3KCNH2
SCHEMBL14415670 0.69 HTR2A (0.55) CYP2D6CHRM1ADRA1ADRD3KCNH2
SCHEMBL16617866 0.69 CYP2D6 (0.56) CYP2D6CHRM1ADRA1ADRD3KCNH2
SCHEMBL11834975 0.69 CYP2D6 (0.59) CYP2D6CHRM1ADRA1ADRD3KCNH2

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
EP-0623852-B1 Resist compositions for circuit boards IBIDEN CO LTD (JP) 1998-10-21 EP disclosed
EP-0802456-A1 Resist compositions for circuit boards IBIDEN CO, LTD. (JP) 1997-10-22 EP disclosed
EP-0623852-A1 Resist compositions for circuit boards IBIDEN CO, LTD. (JP) 1994-11-09 EP disclosed