SCHEMBL11523399

SCHEMBL11523399

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

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.44
GRIA2 P42262 2/20 0.44
GRIA3 P42263 2/20 0.44
USP30 Q70CQ3 3/20 0.40
GRM2 Q14416 1/20 0.39
SPHK1 Q9NYA1 3/20 0.39
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP19A1 P11511 3/20 0.38
GRIA4 P48058 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL11523393 1.00 GRIA1 (0.44) GRIA1GRIA2GRIA3USP30GRM2
SCHEMBL11527214 0.99 GRIA1 (0.44) GRIA1GRIA2GRIA3USP30GRM2
SCHEMBL11527218 0.99 GRIA1 (0.44) GRIA1GRIA2GRIA3USP30GRM2
SCHEMBL11525277 0.96 GRIA1 (0.45) GRIA1GRIA2GRIA3USP30GRM2
SCHEMBL11525272 0.96 GRIA1 (0.45) GRIA1GRIA2GRIA3USP30GRM2
SCHEMBL11524748 0.90 GRIA2 (0.47) GRIA1GRIA2GRIA3USP30TSHR
SCHEMBL11524743 0.90 GRIA2 (0.47) GRIA1GRIA2GRIA3USP30TSHR
SCHEMBL24471099 0.89 GRIA2 (0.50) GRIA1GRIA2GRIA3USP30GRIA4
SCHEMBL19464663 0.85 TSHR (0.50) GRIA1GRIA2GRIA3GRM2TSHR
SCHEMBL11617404 0.85 SPHK1 (0.41) SPHK1

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