SCHEMBL8895975

SCHEMBL8895975

[K]C1CCCC2=C1Cc1ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAOA P21397 2/20 0.34
SIGMAR1 Q99720 2/20 0.33
CES1 P23141 2/20 0.32
BCHE P06276 1/20 0.32
CYP2A6 P11509 1/20 0.32
MAOB P27338 1/20 0.32
TSHR P16473 1/20 0.31
ACHE P22303 1/20 0.31

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
Hydrochloric Acid SCHEMBL8148785 0.81 CHRM2 (0.35) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL7641221 0.81 CHRM2 (0.37) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL2232626 0.81 CHRM1 (0.37) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL7549766 0.80 CHRM1 (0.37) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL6251579 0.79 CHRM2 (0.36) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL29987214 0.79 CHRM2 (0.36) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL6910045 0.79 CHRM2 (0.36) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL9732815 0.79 ANPEP (0.39) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL6932058 0.79 CHRM1 (0.39) CHRM2HTR1AADRA2ACHRM1DRD1
Hydrochloric Acid SCHEMBL6250497 0.78 CHRM1 (0.35) CHRM2HTR1AADRA2ACHRM1DRD1

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-5670680-A Method for producing octahydrofluorenyl metal complexes THE DOW CHEMICAL COMPANY (US) 1997-09-23 US disclosed