SCHEMBL15043499

SCHEMBL15043499

CC(F)CC1CCC(c2ccc(C#N)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.48
GRIA2 P42262 1/20 0.48
GRIA3 P42263 1/20 0.48
HSD11B1 P28845 1/20 0.38
USP30 Q70CQ3 4/20 0.38
HRH3 Q9Y5N1 4/20 0.36
KCNH2 Q12809 2/20 0.36
GRIA4 P48058 1/20 0.36
ESR1 P03372 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
ESR2 Q92731 1/20 0.36
FASN P49327 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
KDM1A O60341 2/20 0.34

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
SCHEMBL9328413 0.88 GRIA1 (0.44) GRIA1GRIA2GRIA3HSD11B1USP30
SCHEMBL9328407 0.88 GRIA1 (0.44) GRIA1GRIA2GRIA3HSD11B1USP30
SCHEMBL9485937 0.84 GRIA2 (0.45) GRIA1GRIA2GRIA3HSD11B1USP30
SCHEMBL9485943 0.84 GRIA2 (0.45) GRIA1GRIA2GRIA3HSD11B1USP30
SCHEMBL11520098 0.84 GRIA2 (0.47) GRIA1GRIA2GRIA3USP30HRH3
SCHEMBL11520101 0.84 GRIA2 (0.47) GRIA1GRIA2GRIA3USP30HRH3
SCHEMBL11618687 0.84 GRIA1 (0.47) GRIA1GRIA2GRIA3HSD11B1USP30
SCHEMBL11616336 0.81 GRIA2 (0.45) GRIA1GRIA2GRIA3USP30HRH3
SCHEMBL11523115 0.80 GRIA2 (0.44) GRIA1GRIA2GRIA3USP30HRH3
SCHEMBL11523121 0.80 GRIA2 (0.44) GRIA1GRIA2GRIA3USP30HRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617473-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-04-11 US disclosed
US-20130155338-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-20 US disclosed