SCHEMBL4419276

SCHEMBL4419276

CCCCNC(=O)Oc1cc(-c2ccc(OC(F)F)cc2)n(CC2CCCCC2)c1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.39
MGLL Q99685 3/20 0.38
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
SLC6A4 P31645 3/20 0.38
NCEH1 Q6PIU2 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
CRHBP P24387 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
CRHR2 Q13324 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL4423636 0.90 ALDH1A1 (0.47) ACHEMGLLHTR2AHTR2CSLC6A4
SCHEMBL4417093 0.89 MAPT (0.43) ACHEMGLLHTR2AHTR2CSLC6A4
SCHEMBL4423695 0.89 HTR2A (0.41) ACHEMGLLHTR2AHTR2CSLC6A4
SCHEMBL4418725 0.87 HTR2A (0.46) HTR2AHTR2CSLC6A4
SCHEMBL4425227 0.86 CNR1 (0.41) ACHEMGLLHTR2AHTR2CSLC6A4
SCHEMBL3918784 0.86 HTR2A (0.51) HTR2AHTR2CSLC6A4ALDH1A1MEN1
SCHEMBL4423191 0.85 NCEH1 (0.41) ACHEMGLLHTR2AHTR2CSLC6A4
SCHEMBL4422250 0.84 HTR2A (0.46) ACHEMGLLHTR2AHTR2CSLC6A4
SCHEMBL4417423 0.83 MGLL (0.43) MGLLHTR2AHTR2CSLC6A4ALDH1A1
SCHEMBL4419939 0.83 HTR2A (0.42) ACHEHTR2AHTR2CSLC6A4NCEH1

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
EP-1583742-B1 CB 1 RECEPTOUR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2009-12-02 EP claimed