SCHEMBL8835236

SCHEMBL8835236

CC/C=C/C=C/C1CCC(c2ccc(C#N)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
MAOB P27338 4/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
KCNH2 Q12809 1/20 0.34
CYP2A6 P11509 1/20 0.34
HSD11B1 P28845 1/20 0.34
USP30 Q70CQ3 4/20 0.33
MAOA P21397 2/20 0.33
HDAC2 Q92769 1/20 0.33
FASN P49327 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL8835239 1.00 GRIA1 (0.40) GRIA1GRIA2GRIA3MAOBDRD2
SCHEMBL10418654 0.90 GRIA1 (0.42) GRIA1GRIA2GRIA3MAOBDRD2
SCHEMBL9774069 0.90 GRIA1 (0.42) GRIA1GRIA2GRIA3MAOBDRD2
SCHEMBL9773940 0.90 GRIA1 (0.42) GRIA1GRIA2GRIA3MAOBDRD2
SCHEMBL8452626 0.90 GRIA1 (0.42) GRIA1GRIA2GRIA3MAOBDRD2
SCHEMBL10418653 0.90 GRIA1 (0.42) GRIA1GRIA2GRIA3MAOBDRD2
SCHEMBL9774059 0.90 GRIA1 (0.42) GRIA1GRIA2GRIA3MAOBDRD2
SCHEMBL8452615 0.90 GRIA1 (0.42) GRIA1GRIA2GRIA3MAOBDRD2
SCHEMBL8452618 0.90 GRIA1 (0.42) GRIA1GRIA2GRIA3MAOBDRD2
SCHEMBL8452630 0.90 GRIA1 (0.42) GRIA1GRIA2GRIA3MAOBDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5662830-A Diene derivative CHISSO CORPORATION (JP) 1997-09-02 US disclosed
US-5609791-A Diene derivative CHISSO CORPORATION (JP) 1997-03-11 US disclosed
EP-0563982-B1 Polycyclic diene derivatives CHISSO CORP (JP) 1996-07-17 EP disclosed
US-5449810-A Diene derivative CHISSO CORPORATION (JP) 1995-09-12 US disclosed