SCHEMBL11523002

SCHEMBL11523002

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.45
GRIA2 P42262 1/20 0.45
GRIA3 P42263 1/20 0.45
HRH3 Q9Y5N1 7/20 0.40
USP30 Q70CQ3 3/20 0.40
MGLL Q99685 2/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
RAB9A P51151 1/20 0.37
SPHK1 Q9NYA1 1/20 0.36

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
SCHEMBL11522999 1.00 GRIA1 (0.45) GRIA1GRIA2GRIA3HRH3USP30
SCHEMBL11523022 0.99 GRIA1 (0.44) GRIA1GRIA2GRIA3HRH3USP30
SCHEMBL11523017 0.99 GRIA1 (0.44) GRIA1GRIA2GRIA3HRH3USP30
SCHEMBL11524533 0.96 GRIA1 (0.46) GRIA1GRIA2GRIA3HRH3USP30
SCHEMBL11524530 0.96 GRIA1 (0.46) GRIA1GRIA2GRIA3HRH3USP30
SCHEMBL11524029 0.91 GRIA1 (0.47) GRIA1GRIA2GRIA3HRH3USP30
SCHEMBL11524026 0.91 GRIA1 (0.47) GRIA1GRIA2GRIA3HRH3USP30
SCHEMBL8432085 0.87 MGLL (0.48) HRH3MGLL
SCHEMBL8433659 0.87 MGLL (0.48) HRH3MGLL
SCHEMBL8432091 0.87 MGLL (0.48) HRH3MGLL

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