SCHEMBL8834976

SCHEMBL8834976

O=CC=CC1CCC(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.50
HDAC2 Q92769 1/20 0.38
ADRA2A P08913 1/20 0.35
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35
ADRA1B P35368 1/20 0.35
P2RY14 Q15391 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
MAOB P27338 2/20 0.35
CNR1 P21554 2/20 0.34
IDO1 P14902 1/20 0.34
DGAT1 O75907 1/20 0.34
SOAT1 P35610 1/20 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
SCHEMBL8834974 1.00 HTR2C (0.50) HTR2CHDAC2ADRA2ADRD1DRD5
SCHEMBL8835534 0.84 HTR2C (0.50) HTR2CHDAC2MAOB
SCHEMBL8835537 0.84 HTR2C (0.50) HTR2CHDAC2MAOB
SCHEMBL28714384 0.83 HTR2C (0.56) HTR2CADRA2ADRD1DRD5ADRA1B
SCHEMBL8835710 0.83 HTR2C (0.49) HTR2CHDAC2MAOB
SCHEMBL8835704 0.83 HTR2C (0.49) HTR2CHDAC2MAOB
SCHEMBL8963025 0.81 HTR2C (0.57) HTR2CHDAC2MAOBCNR1
SCHEMBL8963017 0.81 HTR2C (0.57) HTR2CHDAC2MAOBCNR1
SCHEMBL8835518 0.81 HTR2C (0.46) HTR2CHDAC2MAOBCNR1
SCHEMBL8835275 0.81 HTR2C (0.46) HTR2CHDAC2MAOBCNR1

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