SCHEMBL11524653

SCHEMBL11524653

CC(C)[C@H]1CC[C@H](c2ccc(-c3ccc(C#N)cc3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 5/20 0.53
GRIA1 P42261 1/20 0.53
GRIA3 P42263 1/20 0.53
HRH3 Q9Y5N1 5/20 0.47
KCNH2 Q12809 4/20 0.47
KIF11 P52732 1/20 0.43
USP30 Q70CQ3 3/20 0.41
EGLN2 Q96KS0 1/20 0.41
P2RY14 Q15391 1/20 0.40
MMP3 P08254 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
GRIA4 P48058 1/20 0.38
HSD11B1 P28845 1/20 0.37

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
SCHEMBL11524659 1.00 GRIA2 (0.53) GRIA2GRIA1GRIA3HRH3KCNH2
SCHEMBL11621038 0.95 GRIA1 (0.57) GRIA2GRIA1GRIA3HRH3KCNH2
SCHEMBL11526595 0.85 GRIA2 (0.58) GRIA2GRIA1GRIA3HRH3KCNH2
SCHEMBL11526597 0.85 GRIA2 (0.58) GRIA2GRIA1GRIA3HRH3KCNH2
SCHEMBL11525867 0.83 GRIA2 (0.56) GRIA2GRIA1GRIA3HRH3KCNH2
SCHEMBL11525860 0.83 GRIA2 (0.56) GRIA2GRIA1GRIA3HRH3KCNH2
SCHEMBL12807824 0.82 GRIA1 (0.54) GRIA2GRIA1GRIA3HRH3KCNH2
SCHEMBL14649680 0.81 HRH3 (0.54) GRIA2GRIA1GRIA3HRH3KCNH2
SCHEMBL11524401 0.81 HRH3 (0.54) GRIA2GRIA1GRIA3HRH3KCNH2
SCHEMBL11524397 0.81 HRH3 (0.54) GRIA2GRIA1GRIA3HRH3KCNH2

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