SCHEMBL8835665

SCHEMBL8835665

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
CHRM2 P08172 1/20 0.33
DRD2 P14416 1/20 0.33
CHRNB2 P17787 1/20 0.33
DRD4 P21917 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
DRD3 P35462 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
KIF11 P52732 5/20 0.33
HTR2A P28223 1/20 0.32
CYP11B1 P15538 5/20 0.32
CYP11B2 P19099 5/20 0.32
POLQ O75417 1/20 0.31
KCNH2 Q12809 1/20 0.31
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL8835669 1.00 KDM1A (0.44) KDM1ACHRM2DRD2CHRNB2DRD4
SCHEMBL8835660 1.00 KDM1A (0.44) KDM1ACHRM2DRD2CHRNB2DRD4
SCHEMBL8835216 0.96 KDM1A (0.42) KDM1ACHRM2DRD2CHRNB2DRD4
SCHEMBL8835219 0.96 KDM1A (0.42) KDM1ACHRM2DRD2CHRNB2DRD4
SCHEMBL8835224 0.96 KDM1A (0.42) KDM1ACHRM2DRD2CHRNB2DRD4
SCHEMBL13002283 0.87 KDM1A (0.50) KDM1ACHRM2DRD2CHRNB2DRD4
SCHEMBL8834861 0.85 KDM1A (0.43) KDM1ACHRM2DRD2CHRNB2DRD4
SCHEMBL8834859 0.85 KDM1A (0.43) KDM1ACHRM2DRD2CHRNB2DRD4
SCHEMBL8836053 0.84 HTR2A (0.33) KDM1AHTR2AKCNH2
SCHEMBL8836059 0.84 HTR2A (0.33) KDM1AHTR2AKCNH2

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