SCHEMBL8677753

SCHEMBL8677753

C[Zr](C)(C)(Cl)(Cl)C1=CC=CC1.c1ccc2c(c1)-c1ccccc1C2C1c2ccccc2-c2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.32
CHRM2 P08172 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD1 P21728 1/20 0.30
ACHE P22303 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
ADRA1A P35348 1/20 0.30
OPRM1 P35372 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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 SCHEMBL8162351 0.88
Hydrochloric Acid SCHEMBL8148696 0.84
Hydrochloric Acid SCHEMBL8162752 0.82
SCHEMBL8677724 0.77 GPR3 (0.32) GPR3
Hydrochloric Acid SCHEMBL8681777 0.73
SCHEMBL8163761 0.72 GPR3 (0.32) GPR3
SCHEMBL8678857 0.71 GPR3 (0.32) GPR3
Hydrochloric Acid SCHEMBL8156669 0.69
Hydrochloric Acid SCHEMBL8156194 0.69
Hydrochloric Acid SCHEMBL8157171 0.68

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-5770666-A METALLOCENE TOSOH CORPORATION (JP) 1998-06-23 US disclosed