SCHEMBL7545824

SCHEMBL7545824

[LiH].c1ccc2c(c1)CC1CCCCC21

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.53
HTR2C P28335 6/20 0.53
HTR2B P41595 6/20 0.53
HRH3 Q9Y5N1 5/20 0.53
SIGMAR1 Q99720 8/20 0.45
PRCP P42785 1/20 0.42
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL461946 0.98 HTR2A (0.54) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL352937 0.85 SIGMAR1 (0.47) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL22304223 0.82 HTR2A (0.51) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL2064332 0.80 SIGMAR1 (0.56) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL10785005 0.80 SIGMAR1 (0.60) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL11860825 0.79 HTR2A (0.45) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL21924071 0.78 SIGMAR1 (0.63) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL6542145 0.78 SIGMAR1 (0.63) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL4661810 0.78 SIGMAR1 (0.63) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL30285859 0.78 SIGMAR1 (0.63) HTR2AHTR2CHTR2BHRH3SIGMAR1

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-0900228-B1 A METHOD FOR PRODUCING OCTAHYDROFLUORENYL METAL COMPLEXES DOW CHEMICAL CO (US) 2002-06-12 EP disclosed
EP-0900228-A1 A METHOD FOR PRODUCING OCTAHYDROFLUORENYL METAL COMPLEXES THE DOW CHEMICAL COMPANY (US) 1999-03-10 EP disclosed
WO-1997041134-A1 A METHOD FOR PRODUCING OCTAHYDROFLUORENYL METAL COMPLEXES THE DOW CHEMICAL COMPANY (US) 1997-11-06 WO disclosed