SCHEMBL6674619

SCHEMBL6674619

CCCCCC(C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.47
BCHE P06276 1/20 0.47
HTR2A P28223 1/20 0.39
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD1 P21728 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
PTPN1 P18031 1/20 0.36

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
SCHEMBL6676501 0.96 ACHE (0.50) ACHEBCHEHTR2ACYP1A2TSHR
Hydrochloric Acid SCHEMBL8678405 0.93 ACHE (0.47) ACHEBCHEHTR2ACYP1A2TSHR
Hydrochloric Acid SCHEMBL8678410 0.93 ACHE (0.47) ACHEBCHEHTR2ACYP1A2TSHR
Chloromethane SCHEMBL8674212 0.91 ACHE (0.46) ACHEBCHEHTR2ACYP1A2TSHR
SCHEMBL6675793 0.86 ACHE (0.43) ACHEBCHEHTR2ACYP1A2TSHR
SCHEMBL27337789 0.85 ACHE (0.41) ACHEBCHEHTR2ACYP1A2TSHR
Hydrochloric Acid SCHEMBL8674744 0.83 ACHE (0.41) ACHEBCHEHTR2ACYP1A2TSHR
Hydrochloric Acid SCHEMBL8674748 0.83 ACHE (0.41) ACHEBCHEHTR2ACYP1A2TSHR
Hydrochloric Acid SCHEMBL8675605 0.81 ACHE (0.44) ACHEBCHEHTR2ACHRM2HTR1A
SCHEMBL18585835 0.81 ACHE (0.44) ACHEBCHEHTR2ACHRM2HTR1A

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