SCHEMBL11525860

SCHEMBL11525860

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 5/20 0.56
GRIA1 P42261 1/20 0.56
GRIA3 P42263 1/20 0.56
USP30 Q70CQ3 3/20 0.42
HRH3 Q9Y5N1 8/20 0.41
KCNH2 Q12809 4/20 0.41
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HRH2 P25021 2/20 0.37
HRH1 P35367 2/20 0.37
P2RY14 Q15391 1/20 0.36
EGLN2 Q96KS0 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
SCHEMBL11525867 1.00 GRIA2 (0.56) GRIA2GRIA1GRIA3USP30HRH3
SCHEMBL11614018 0.96 GRIA2 (0.60) GRIA2GRIA1GRIA3USP30HRH3
SCHEMBL11521723 0.94 GRIA2 (0.53) GRIA2GRIA1GRIA3USP30HRH3
SCHEMBL11521726 0.94 GRIA2 (0.53) GRIA2GRIA1GRIA3USP30HRH3
SCHEMBL11523250 0.92 GRIA2 (0.52) GRIA2GRIA1GRIA3USP30HRH3
SCHEMBL11523243 0.92 GRIA2 (0.52) GRIA2GRIA1GRIA3USP30HRH3
SCHEMBL11523725 0.92 GRIA2 (0.54) GRIA2GRIA1GRIA3USP30HRH3
SCHEMBL11523720 0.92 GRIA2 (0.54) GRIA2GRIA1GRIA3USP30HRH3
SCHEMBL11526595 0.89 GRIA2 (0.58) GRIA2GRIA1GRIA3USP30HRH3
SCHEMBL11526597 0.89 GRIA2 (0.58) GRIA2GRIA1GRIA3USP30HRH3

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