SCHEMBL7545658

SCHEMBL7545658

C1=CC2c3ccccc3CC2CC1.[LiH]

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
KDM1A O60341 4/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
HTR2A P28223 6/20 0.33
HTR2C P28335 6/20 0.33
HTR2B P41595 6/20 0.33
HRH3 Q9Y5N1 5/20 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
SCHEMBL202263 0.98 GRIN2D (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7551766 0.96 GRIN2D (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24832561 0.75 ALDH1A1 (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8077660 0.69 IDO1 (0.42) SIGMAR1
SCHEMBL2831438 0.69 DRD2 (0.39) HTR2B
SCHEMBL11666763 0.69 DRD2 (0.39) HTR2B
SCHEMBL8157232 0.67 PTPN7 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7625882 0.67 SIGMAR1 (0.40) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL8197745 0.66 CHRM2 (0.40) HRH3
SCHEMBL9300443 0.66 CHRNB2 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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