SCHEMBL8835554

SCHEMBL8835554

CC=CC=CC1CCC(c2ccc(F)c(F)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
HDAC2 Q92769 1/20 0.32
GRIA4 P48058 1/20 0.32
KDM1A O60341 2/20 0.31
MAOB P27338 1/20 0.31
HCRTR2 O43614 2/20 0.31
USP5 P45974 2/20 0.31
HDAC6 Q9UBN7 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
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
SCHEMBL8835549 1.00 HTR2A (0.33) HTR2AHTR2CHTR2BHDAC2GRIA4
SCHEMBL8835089 0.97 USP5 (0.32) HTR2AHTR2CHTR2BHDAC2GRIA4
SCHEMBL8835085 0.97 USP5 (0.32) HTR2AHTR2CHTR2BHDAC2GRIA4
SCHEMBL17070830 0.89 HTR2A (0.35) HTR2AHTR2CHTR2BHDAC2GRIA4
SCHEMBL9166201 0.88 USP5 (0.33) HTR2AHTR2CHTR2BHDAC2GRIA4
SCHEMBL8633516 0.88 USP5 (0.33) HTR2AHTR2CHTR2BHDAC2GRIA4
SCHEMBL8633522 0.88 USP5 (0.33) HTR2AHTR2CHTR2BHDAC2GRIA4
SCHEMBL8633520 0.88 USP5 (0.33) HTR2AHTR2CHTR2BHDAC2GRIA4
SCHEMBL8633514 0.88 USP5 (0.33) HTR2AHTR2CHTR2BHDAC2GRIA4
SCHEMBL10027426 0.88 USP5 (0.33) HTR2AHTR2CHTR2BHDAC2GRIA4

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 5 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
EP-0563982-A2 Polycyclic diene derivatives Chisso Corporation (JP) 1993-10-06 EP disclosed