SCHEMBL8834959

SCHEMBL8834959

C=C/C=C\CC1CCC(c2ccc(C(F)(F)F)c(F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.42
POLQ O75417 1/20 0.32
CHRM2 P08172 1/20 0.31
DRD2 P14416 1/20 0.31
CHRNB2 P17787 1/20 0.31
DRD4 P21917 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
DRD3 P35462 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
KIF11 P52732 4/20 0.31
HTR2A P28223 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL8835613 0.91 KIF11 (0.41) KDM1AKIF11CYP11B1CYP11B2
SCHEMBL8834967 0.89 KDM1A (0.41) KDM1APOLQCHRM2DRD2CHRNB2
SCHEMBL8835490 0.86 KDM1A (0.39) KDM1A
SCHEMBL8835460 0.85 CCR2 (0.34) KDM1AHTR2A
SCHEMBL8835055 0.84
SCHEMBL13002316 0.84 KDM1A (0.43) KDM1APOLQCHRM2DRD2CHRNB2
SCHEMBL8835320 0.82 EPHX2 (0.33) CHRM2
SCHEMBL8835301 0.81 DGAT1 (0.33)
SCHEMBL8835669 0.81 KDM1A (0.44) KDM1APOLQCHRM2DRD2CHRNB2
SCHEMBL8835665 0.81 KDM1A (0.44) KDM1APOLQCHRM2DRD2CHRNB2

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