SCHEMBL9872886

SCHEMBL9872886

CCc1ccccc1C(=O)CCC1CC(c2cccc(C(F)(F)F)c2)=CCN1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.39
RORC P51449 2/20 0.35
RORB Q92753 2/20 0.35
PTPN5 P54829 1/20 0.34
RXFP1 Q9HBX9 3/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
HTR7 P34969 1/20 0.33
CNR2 P34972 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
S1PR5 Q9H228 1/20 0.32
PARP1 P09874 1/20 0.32
PTGES O14684 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
SCHEMBL9875803 0.82 HTR2C (0.41) HTR2CHTR7
SCHEMBL8024707 0.78 HTR2C (0.41) HTR2CGRIN1GRIN2BHTR7S1PR5
SCHEMBL9530357 0.75 HTR2C (0.47) HTR2CGRIN1GRIN2BCNR2
SCHEMBL8074288 0.74 HTR2C (0.44) HTR2CGRIN1GRIN2BS1PR5
SCHEMBL7439313 0.74 MAOB (0.46) HTR2CHTR7S1PR5
SCHEMBL7435086 0.73 HTR2C (0.49) HTR2CGRIN1GRIN2BCNR2S1PR5
SCHEMBL8540798 0.73 HTR2C (0.44) HTR2CPTPN5GRIN1GRIN2BCNR2
SCHEMBL8507430 0.72 HTR2C (0.41) HTR2CS1PR5
SCHEMBL7100010 0.71 HTR2C (0.43) HTR2CHTR7S1PR5
SCHEMBL10972228 0.71 HTR2C (0.41) HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991008200-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS AS ACTIVE AGENTS Richter Gedeon Vegyészeti Gyár Rt. (HU) 1991-06-13 WO claimed