SCHEMBL8835271

SCHEMBL8835271

C/C=C/C=C/C1CCC(C2CCC(c3ccc(C(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.46
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
GRM2 Q14416 1/20 0.33
HDAC2 Q92769 1/20 0.33
CNR1 P21554 2/20 0.33
MAOB P27338 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL8835275 1.00 HTR2C (0.46) HTR2CDRD2DRD4GRM2HDAC2
SCHEMBL8835710 0.97 HTR2C (0.49) HTR2CDRD2DRD4GRM2HDAC2
SCHEMBL8835704 0.97 HTR2C (0.49) HTR2CDRD2DRD4GRM2HDAC2
SCHEMBL13433665 0.91 HTR2C (0.49) HTR2CDRD2DRD4GRM2HDAC2
SCHEMBL8835522 0.86 HTR2C (0.46) HTR2CDRD2DRD4GRM2HDAC2
SCHEMBL8835518 0.86 HTR2C (0.46) HTR2CDRD2DRD4GRM2HDAC2
SCHEMBL8835414 0.85 HTR2C (0.43) HTR2CHDAC2CNR1KDM4EALDH1A1
SCHEMBL8455174 0.84 HTR2C (0.42) HTR2CHDAC2CNR1MAOBKDM4E
SCHEMBL8455164 0.84 HTR2C (0.42) HTR2CHDAC2CNR1MAOBKDM4E
SCHEMBL8455168 0.84 HTR2C (0.42) HTR2CHDAC2CNR1MAOBKDM4E

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