SCHEMBL7789801

SCHEMBL7789801

CCC[C@]12CCC(=O)C=C1c1c(cc(OCc3cccc(C4=NCCO4)c3)c(Cl)c1Cl)C2

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.41
ESR1 P03372 3/20 0.41
GRM2 Q14416 11/20 0.40

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
SCHEMBL1888520 1.00 ESR2 (0.41) ESR2ESR1GRM2
SCHEMBL7782050 0.92 ESR2 (0.42) ESR2ESR1GRM2
SCHEMBL1888940 0.92 ESR2 (0.42) ESR2ESR1GRM2
SCHEMBL7789806 0.86 ESR2 (0.43) ESR2ESR1GRM2
SCHEMBL1892183 0.86 ESR2 (0.43) ESR2ESR1GRM2
SCHEMBL7787597 0.84 ESR2 (0.45) ESR2ESR1GRM2
SCHEMBL1905793 0.84 ESR2 (0.45) ESR2ESR1GRM2
SCHEMBL7789815 0.80 ESR1 (0.47) ESR2ESR1GRM2
SCHEMBL1891390 0.80 ESR2 (0.46) ESR2ESR1GRM2
SCHEMBL7786874 0.80 ESR2 (0.46) ESR2ESR1GRM2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6251898-B1 Medical use of fluorenone derivatives for treating and preventing brain and spinal injury QUESTCOR PHARMACEUTICALS, INC. 2001-06-26 US disclosed
WO-2001014334-A1 FLUORENONE COMPOUNDS WITH MODIFIED 7-POSITION SUBSTITUENTS FOR TREATING AND PREVENTING BRAIN AND SPINAL INJURY QUESTCOR PHARMACEUTICALS, INC. (US) 2001-03-01 WO disclosed