SCHEMBL8024707

SCHEMBL8024707

CCc1ccc(CCC2CC(c3cccc(C(F)(F)F)c3)=CCN2)cc1CC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.41
MAOB P27338 2/20 0.35
HRH1 P35367 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
S1PR5 Q9H228 1/20 0.34
CXCR3 P49682 1/20 0.33
KIFC1 Q9BW19 2/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
HTR7 P34969 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
SCHEMBL8541412 0.87 HTR2C (0.39) HTR2CMAOBHRH1HRH4CXCR3
SCHEMBL7439313 0.84 MAOB (0.46) HTR2CMAOBHRH1HRH4S1PR5
SCHEMBL7100010 0.84 HTR2C (0.43) HTR2CMAOBHRH1HRH4S1PR5
SCHEMBL8540798 0.83 HTR2C (0.44) HTR2CMAOBHRH1HRH4S1PR5
Hydrochloric Acid SCHEMBL1742023 0.83 HTR2C (0.44) HTR2CMAOBHRH1HRH4S1PR5
SCHEMBL8541203 0.83 HTR2C (0.42) HTR2CMAOBHRH1HRH4CXCR3
SCHEMBL8543404 0.82 FAAH (0.42) HTR2CMAOBHRH1HRH4
SCHEMBL7453648 0.80 HTR2C (0.40) HTR2CMAOBHRH1HRH4S1PR5
SCHEMBL8542783 0.80 MAOB (0.42) HTR2CMAOBHRH1HRH4S1PR5
SCHEMBL6885675 0.79 MAOB (0.41) HTR2CMAOBHRH1HRH4S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017385-A1 USE OF 4-SUBSTITUTED TETRAHYDROPYRIDINES FOR MAKING MEDICINES ACTING ON TGF-beta 1 SANOFI-SYNTHELABO (FR) 2000-07-12 EP disclosed
EP-0979079-A1 USE OF TETRAHYDROPYRIDINE DERIVATIVES TO PREPARE MEDICINES FOR TREATING DISEASES CAUSING DEMYELINATION SANOFI-SYNTHELABO (FR) 2000-02-16 EP disclosed
EP-0950048-A1 1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES FOR TREATING ALZHEIMER'S DISEASE SANOFI-SYNTHELABO (FR) 1999-10-20 EP disclosed
WO-1998053821-A1 USE OF 4-SUBSTITUTED TETRAHYDROPYRIDINES FOR MAKING MEDICINES ACTING ON TGF-β1 SANOFI-SYNTHELABO (FR) 1998-12-03 WO disclosed
WO-1998048802-A1 USE OF TETRAHYDROPYRIDINE DERIVATIVES TO PREPARE MEDICINES FOR TREATING DISEASES CAUSING DEMYELINATION SANOFI-SYNTHELABO (FR) 1998-11-05 WO disclosed
WO-1998025903-A1 1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES FOR TREATING ALZHEIMER'S DISEASE SANOFI (FR) 1998-06-18 WO disclosed