SCHEMBL8449169

SCHEMBL8449169

N#CC=CC=C[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(C#N)cc3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
MAOB P27338 4/20 0.33
HDAC2 Q92769 1/20 0.33
EGLN2 Q96KS0 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
HSD11B1 P28845 2/20 0.32
MAOA P21397 2/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
USP30 Q70CQ3 1/20 0.30

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
SCHEMBL8449174 1.00 GRIA1 (0.35) GRIA1GRIA2GRIA3MAOBHDAC2
SCHEMBL8449165 1.00 GRIA1 (0.35) GRIA1GRIA2GRIA3MAOBHDAC2
SCHEMBL8454197 0.96 GRIA1 (0.37) GRIA1GRIA2GRIA3MAOBHDAC2
SCHEMBL8454205 0.96 GRIA1 (0.37) GRIA1GRIA2GRIA3MAOBHDAC2
SCHEMBL8454200 0.96 GRIA1 (0.37) GRIA1GRIA2GRIA3MAOBHDAC2
SCHEMBL8454306 0.94 GRIA1 (0.36) GRIA1GRIA2GRIA3MAOBHDAC2
SCHEMBL8454315 0.94 GRIA1 (0.36) GRIA1GRIA2GRIA3MAOBHDAC2
SCHEMBL8450601 0.90 GRIA1 (0.37) GRIA1GRIA2GRIA3MAOBHDAC2
SCHEMBL8450607 0.90 GRIA1 (0.37) GRIA1GRIA2GRIA3MAOBHDAC2
SCHEMBL8450598 0.90 GRIA1 (0.37) GRIA1GRIA2GRIA3MAOBHDAC2

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-5976408-A Acrylonitrile derivative, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 1999-11-02 US disclosed
EP-0820983-A1 ACRYLONITRILE DERIVATIVES, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 1998-01-28 EP disclosed