SCHEMBL11524748

SCHEMBL11524748

CCCC(C)c1ccc(C2CCC(c3ccc(C#N)cc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 3/20 0.47
GRIA1 P42261 2/20 0.47
GRIA3 P42263 2/20 0.47
USP30 Q70CQ3 4/20 0.42
GRIA4 P48058 2/20 0.38
SLC6A3 Q01959 1/20 0.37
DRD3 P35462 4/20 0.36
HRH3 Q9Y5N1 3/20 0.36
DRD2 P14416 3/20 0.36
KCNH2 Q12809 2/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP1 P29466 1/20 0.35
HSD11B1 P28845 1/20 0.35

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
SCHEMBL11524743 1.00 GRIA2 (0.47) GRIA2GRIA1GRIA3USP30GRIA4
SCHEMBL24471099 0.92 GRIA2 (0.50) GRIA2GRIA1GRIA3USP30GRIA4
SCHEMBL11525272 0.92 GRIA1 (0.45) GRIA2GRIA1GRIA3USP30GRIA4
SCHEMBL11525277 0.92 GRIA1 (0.45) GRIA2GRIA1GRIA3USP30GRIA4
SCHEMBL11523393 0.90 GRIA1 (0.44) GRIA2GRIA1GRIA3USP30GRIA4
SCHEMBL11523399 0.90 GRIA1 (0.44) GRIA2GRIA1GRIA3USP30GRIA4
SCHEMBL11527214 0.89 GRIA1 (0.44) GRIA2GRIA1GRIA3USP30TSHR
SCHEMBL11527218 0.89 GRIA1 (0.44) GRIA2GRIA1GRIA3USP30TSHR
SCHEMBL11527145 0.88 GRIA1 (0.49) GRIA2GRIA1GRIA3USP30GRIA4
SCHEMBL11527149 0.88 GRIA1 (0.49) GRIA2GRIA1GRIA3USP30GRIA4

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-4154697-A Liquid crystalline hexahydroterphenyl derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1979-05-15 US disclosed