SCHEMBL8044947

SCHEMBL8044947

CC=CC1CCC(C2CCC(c3ccc(C#N)cc3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HSD11B1 P28845 1/20 0.36
HDAC2 Q92769 1/20 0.35
MAOB P27338 4/20 0.35
EGLN2 Q96KS0 1/20 0.34
USP30 Q70CQ3 3/20 0.33
MAOA P21397 2/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP2A6 P11509 1/20 0.32
FASN P49327 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL8044943 1.00 GRIA1 (0.40) GRIA1GRIA2GRIA3KCNH2HRH3
SCHEMBL8044951 1.00 GRIA1 (0.40) GRIA1GRIA2GRIA3KCNH2HRH3
SCHEMBL8044940 1.00 GRIA1 (0.40) GRIA1GRIA2GRIA3KCNH2HRH3
SCHEMBL8044941 1.00 GRIA1 (0.40) GRIA1GRIA2GRIA3KCNH2HRH3
SCHEMBL6459335 0.95 GRIA1 (0.42) GRIA1GRIA2GRIA3KCNH2HRH3
SCHEMBL6459320 0.95 GRIA1 (0.42) GRIA1GRIA2GRIA3KCNH2HRH3
SCHEMBL6459328 0.95 GRIA1 (0.42) GRIA1GRIA2GRIA3KCNH2HRH3
SCHEMBL91812 0.95 GRIA1 (0.42) GRIA1GRIA2GRIA3KCNH2HRH3
SCHEMBL6459324 0.95 GRIA1 (0.42) GRIA1GRIA2GRIA3KCNH2HRH3
SCHEMBL9168970 0.91 HRH3 (0.45) GRIA1GRIA2GRIA3KCNH2HRH3

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
JP-2000063344-A LIQUID CRYSTAL COMPOUND ASAHI DENKA KOGYO KK 2000-02-29 JP disclosed