SCHEMBL8835533

SCHEMBL8835533

C=C/C=C\CC1CCC(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.43
DGAT1 O75907 3/20 0.39
SOAT1 P35610 1/20 0.39
IDO1 P14902 1/20 0.35
P2RY14 Q15391 8/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
GRM2 Q14416 1/20 0.34
DRD5 P21918 4/20 0.34
DRD1 P21728 3/20 0.34
ADRA1B P35368 3/20 0.34
SIGMAR1 Q99720 3/20 0.34
TMEM97 Q5BJF2 3/20 0.34
ADRA2A P08913 2/20 0.34
HTR1A P08908 2/20 0.34
ADRB3 P13945 2/20 0.34
ADRA2B P18089 2/20 0.34
SLC6A2 P23975 2/20 0.34
AGTR1 P30556 2/20 0.34
DRD3 P35462 2/20 0.34

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
SCHEMBL8835194 0.96 HTR2C (0.46) HTR2CDGAT1SOAT1IDO1DRD2
SCHEMBL8835268 0.88 HTR2C (0.42) HTR2CDGAT1SOAT1IDO1P2RY14
SCHEMBL8835301 0.86 DGAT1 (0.33) DGAT1SOAT1ESR2
SCHEMBL8835367 0.85 ESR2 (0.34) DGAT1DRD2GRM2HTR1ADRD3
SCHEMBL8456906 0.85 HTR2C (0.46) HTR2CDGAT1SOAT1IDO1P2RY14
SCHEMBL8835095 0.84 HTR2C (0.45) HTR2CDGAT1SOAT1IDO1DRD2
SCHEMBL8835312 0.84 L3MBTL1 (0.40) P2RY14GRM2CHRM2KIF11CHRM1
SCHEMBL8835613 0.83 KIF11 (0.41) DGAT1SOAT1KIF11
SCHEMBL8835639 0.81 HTR2C (0.42) HTR2CDGAT1SOAT1IDO1DRD2
SCHEMBL8835145 0.80 ESR2 (0.37) DRD2GRM2DRD5DRD1HTR1A

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