SCHEMBL8450598

SCHEMBL8450598

N#C/C=C/C1CCC([C@H]2CC[C@H](c3ccc(C#N)cc3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
HDAC2 Q92769 1/20 0.35
MAOB P27338 5/20 0.35
EGLN2 Q96KS0 1/20 0.34
HSD11B1 P28845 2/20 0.33
MAOA P21397 3/20 0.33
ALDH1A1 P00352 1/20 0.32
USP30 Q70CQ3 1/20 0.32
CYP19A1 P11511 1/20 0.31
PANK3 Q9H999 1/20 0.31

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
SCHEMBL8450601 1.00 GRIA1 (0.37) GRIA1GRIA2GRIA3KCNH2HRH3
SCHEMBL8450607 1.00 GRIA1 (0.37) GRIA1GRIA2GRIA3KCNH2HRH3
SCHEMBL8452852 0.95 GRIA1 (0.39) GRIA1GRIA2GRIA3KCNH2HRH3
SCHEMBL8452845 0.95 GRIA1 (0.39) GRIA1GRIA2GRIA3KCNH2HRH3
SCHEMBL8452850 0.95 GRIA1 (0.39) GRIA1GRIA2GRIA3KCNH2HRH3
SCHEMBL8450218 0.94 GRIA1 (0.39) GRIA1GRIA2GRIA3KCNH2HRH3
SCHEMBL8450223 0.94 GRIA1 (0.39) GRIA1GRIA2GRIA3KCNH2HRH3
SCHEMBL8449165 0.90 GRIA1 (0.35) GRIA1GRIA2GRIA3KCNH2HRH3
SCHEMBL8449169 0.90 GRIA1 (0.35) GRIA1GRIA2GRIA3KCNH2HRH3
SCHEMBL8449174 0.90 GRIA1 (0.35) 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
US-5976408-A Acrylonitrile derivative, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 1999-11-02 US disclosed