SCHEMBL6677847

SCHEMBL6677847

C1=CCC(CCCCCCC2c3ccccc3-c3ccccc32)=C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.37
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
SLC6A2 P23975 2/20 0.35
ADRA1A P35348 2/20 0.35
DRD3 P35462 2/20 0.35
SLC6A3 Q01959 2/20 0.35
ACHE P22303 2/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
DRD1 P21728 1/20 0.35
SLC6A4 P31645 1/20 0.35
OPRM1 P35372 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HRH1 P35367 6/20 0.35
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL6673436 1.00 HTR2A (0.37) HTR2ACHRM2CHRM1SLC6A2ADRA1A
SCHEMBL6672355 0.98 HTR2A (0.38) HTR2ACHRM2CHRM1SLC6A2ADRA1A
SCHEMBL6671928 0.94 HTR2A (0.39) HTR2ACHRM2CHRM1SLC6A2ADRA1A
SCHEMBL6673853 0.89 HTR2A (0.40) HTR2ACHRM2CHRM1SLC6A2ADRA1A
Hydrochloric Acid SCHEMBL9067829 0.86 HTR2A (0.38) HTR2ACHRM2CHRM1SLC6A2ADRA1A
SCHEMBL3994179 0.79 HTR2A (0.42) HTR2ACHRM2CHRM1SLC6A2ADRA1A
SCHEMBL8439620 0.78 HTR2A (0.41) HTR2ACHRM2CHRM1SLC6A2ADRA1A
Hydrochloric Acid SCHEMBL6560684 0.76 HTR2A (0.40) HTR2ACHRM2CHRM1SLC6A2ADRA1A
Hydrochloric Acid SCHEMBL9066834 0.76 HTR2A (0.40) HTR2ACHRM2CHRM1SLC6A2ADRA1A
Hydrochloric Acid SCHEMBL7642652 0.76 HTR2A (0.40) HTR2ACHRM2CHRM1SLC6A2ADRA1A

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-0963990-B1 PROCESS FOR PRODUCING CYCLOPENTADIENYL METAL SALTS AND PROCESS FOR PRODUCING CYCLOPENTADIENE DERIVATIVES BY UTILIZING THE SAME SUMITOMO CHEMICAL CO (JP) 2004-10-06 EP disclosed
US-6197990-B1 REACTING CYCLOPENTADIENE AND METAL HYDRIDE IN PRESENCE OF AMINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-03-06 US disclosed
EP-0963990-A1 PROCESS FOR PRODUCING CYCLOPENTADIENYL METAL SALTS AND PROCESS FOR PRODUCING CYCLOPENTADIENE DERIVATIVES BY UTILIZING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-12-15 EP disclosed