SCHEMBL11524533

SCHEMBL11524533

CCCCC(C)Oc1ccc(C2CCC(c3ccc(C#N)cc3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.46
GRIA2 P42262 1/20 0.46
GRIA3 P42263 1/20 0.46
HRH3 Q9Y5N1 8/20 0.41
USP30 Q70CQ3 3/20 0.41
HRH2 P25021 2/20 0.38
HRH1 P35367 2/20 0.38
MGLL Q99685 2/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL11524530 1.00 GRIA1 (0.46) GRIA1GRIA2GRIA3HRH3USP30
SCHEMBL11523002 0.96 GRIA1 (0.45) GRIA1GRIA2GRIA3HRH3USP30
SCHEMBL11522999 0.96 GRIA1 (0.45) GRIA1GRIA2GRIA3HRH3USP30
SCHEMBL11523022 0.95 GRIA1 (0.44) GRIA1GRIA2GRIA3HRH3USP30
SCHEMBL11523017 0.95 GRIA1 (0.44) GRIA1GRIA2GRIA3HRH3USP30
SCHEMBL11524026 0.92 GRIA1 (0.47) GRIA1GRIA2GRIA3HRH3USP30
SCHEMBL11524029 0.92 GRIA1 (0.47) GRIA1GRIA2GRIA3HRH3USP30
SCHEMBL11667619 0.87 GPR88 (0.35) GRIA1GRIA2GRIA3HRH3RAB9A
SCHEMBL11527151 0.87 GRIA1 (0.49) GRIA1GRIA2GRIA3HRH3USP30
SCHEMBL11527148 0.87 GRIA1 (0.49) GRIA1GRIA2GRIA3HRH3USP30

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