SCHEMBL4417700

SCHEMBL4417700

CCCCNC(=O)Oc1cc(-c2cc(F)ccc2F)n(CC2CCCCC2)c1C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.42
FAAH O00519 2/20 0.37
HTR1A P08908 2/20 0.37
P2RX7 Q99572 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
ACHE P22303 2/20 0.36
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL4417093 0.88 MAPT (0.43) NCEH1FAAHALDH1A1HSD17B10HTR2A
SCHEMBL4423191 0.87 NCEH1 (0.41) NCEH1ALDH1A1HSD17B10HTR2AHTR2C
SCHEMBL4419939 0.86 HTR2A (0.42) NCEH1FAAHALDH1A1HSD17B10HTR2A
SCHEMBL4422341 0.85 NCEH1 (0.43) NCEH1HTR1AALDH1A1HSD17B10HTR2A
SCHEMBL3925346 0.85 HTR2A (0.49) FAAHP2RX7ALDH1A1HTR2AHTR2C
SCHEMBL4425475 0.84 MGLL (0.38) NCEH1HTR1AALDH1A1HSD17B10HTR2A
SCHEMBL4418725 0.83 HTR2A (0.46) FAAHHTR2AHTR2CSLC6A4
SCHEMBL4423695 0.83 HTR2A (0.41) NCEH1ALDH1A1HSD17B10HTR2AHTR2C
SCHEMBL4426602 0.82 PLA2G2A (0.42) ALDH1A1HSD17B10ACHE
SCHEMBL5043850 0.81 NCEH1 (0.41) NCEH1FAAHHTR1AALDH1A1HSD17B10

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