SCHEMBL11526595

SCHEMBL11526595

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 5/20 0.58
GRIA1 P42261 1/20 0.58
GRIA3 P42263 1/20 0.58
HRH3 Q9Y5N1 7/20 0.43
KCNH2 Q12809 4/20 0.43
USP30 Q70CQ3 3/20 0.41
HRH2 P25021 2/20 0.39
HRH1 P35367 2/20 0.39
EGLN2 Q96KS0 1/20 0.38
P2RY14 Q15391 1/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FFAR1 O14842 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
SCHEMBL11526597 1.00 GRIA2 (0.58) GRIA2GRIA1GRIA3HRH3KCNH2
SCHEMBL11618384 0.96 GRIA1 (0.62) GRIA2GRIA1GRIA3HRH3KCNH2
SCHEMBL11525860 0.89 GRIA2 (0.56) GRIA2GRIA1GRIA3HRH3KCNH2
SCHEMBL11525867 0.89 GRIA2 (0.56) GRIA2GRIA1GRIA3HRH3KCNH2
SCHEMBL11523720 0.87 GRIA2 (0.54) GRIA2GRIA1GRIA3HRH3KCNH2
SCHEMBL11523725 0.87 GRIA2 (0.54) GRIA2GRIA1GRIA3HRH3KCNH2
SCHEMBL11521723 0.85 GRIA2 (0.53) GRIA2GRIA1GRIA3HRH3KCNH2
SCHEMBL11521726 0.85 GRIA2 (0.53) GRIA2GRIA1GRIA3HRH3KCNH2
SCHEMBL11524653 0.85 GRIA2 (0.53) GRIA2GRIA1GRIA3HRH3KCNH2
SCHEMBL11524659 0.85 GRIA2 (0.53) 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