SCHEMBL8835522

SCHEMBL8835522

C=CC=CC1CCC(C2CCC(c3ccc(C(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.46
GRM2 Q14416 2/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
HDAC2 Q92769 1/20 0.33
CNR1 P21554 2/20 0.33
MAOB P27338 2/20 0.33

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
SCHEMBL8835518 1.00 HTR2C (0.46) HTR2CGRM2DRD2DRD4HDAC2
SCHEMBL8835537 0.96 HTR2C (0.50) HTR2CGRM2DRD2DRD4HDAC2
SCHEMBL8835534 0.96 HTR2C (0.50) HTR2CGRM2DRD2DRD4HDAC2
SCHEMBL8835271 0.86 HTR2C (0.46) HTR2CGRM2DRD2DRD4HDAC2
SCHEMBL8835275 0.86 HTR2C (0.46) HTR2CGRM2DRD2DRD4HDAC2
SCHEMBL8835205 0.84 HDAC2 (0.35) HDAC2MAOB
SCHEMBL8835208 0.84 HDAC2 (0.35) HDAC2MAOB
SCHEMBL8835710 0.82 HTR2C (0.49) HTR2CGRM2DRD2DRD4HDAC2
SCHEMBL13433665 0.82 HTR2C (0.49) HTR2CGRM2DRD2DRD4HDAC2
SCHEMBL9299686 0.82 HTR2C (0.49) HTR2CGRM2DRD2DRD4HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5662830-A Diene derivative CHISSO CORPORATION (JP) 1997-09-02 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