SCHEMBL11523217

SCHEMBL11523217

CCCC(C)CC1CCC(c2ccc(-c3ccc(C#N)cc3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 4/20 0.43
GRIA1 P42261 1/20 0.43
GRIA3 P42263 1/20 0.43
HRH3 Q9Y5N1 8/20 0.40
KCNH2 Q12809 3/20 0.40
USP30 Q70CQ3 3/20 0.38
EGLN2 Q96KS0 2/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL11523214 1.00 GRIA2 (0.43) GRIA2GRIA1GRIA3HRH3KCNH2
SCHEMBL11616336 0.96 GRIA2 (0.45) GRIA2GRIA1GRIA3HRH3KCNH2
SCHEMBL11523121 0.90 GRIA2 (0.44) GRIA2GRIA1GRIA3HRH3KCNH2
SCHEMBL11523115 0.90 GRIA2 (0.44) GRIA2GRIA1GRIA3HRH3KCNH2
SCHEMBL11520101 0.85 GRIA2 (0.47) GRIA2GRIA1GRIA3HRH3KCNH2
SCHEMBL11520098 0.85 GRIA2 (0.47) GRIA2GRIA1GRIA3HRH3KCNH2
SCHEMBL11618687 0.85 GRIA1 (0.47) GRIA2GRIA1GRIA3HRH3KCNH2
SCHEMBL9485943 0.83 GRIA2 (0.45) GRIA2GRIA1GRIA3HRH3KCNH2
SCHEMBL9485937 0.83 GRIA2 (0.45) GRIA2GRIA1GRIA3HRH3KCNH2
SCHEMBL11525867 0.82 GRIA2 (0.56) 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