SCHEMBL5045663

SCHEMBL5045663

[NH]C(Cc1ccc(C#CCCCCCCCCCO)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.37
FFAR4 Q5NUL3 1/20 0.37
SLC6A4 P31645 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ACACB O00763 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33

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
SCHEMBL5044417 0.88 FFAR1 (0.47) FFAR1FFAR4SLC6A4HRH3ACACB
SCHEMBL5047701 0.88 FFAR1 (0.47) FFAR1FFAR4SLC6A4HRH3ACACB
SCHEMBL5046558 0.88 FFAR1 (0.47) FFAR1FFAR4SLC6A4HRH3ACACB
SCHEMBL5044888 0.83 ITGB1 (0.45) FFAR1FFAR4ACACBGABRPGABRD
SCHEMBL2945555 0.82 GABRP (0.43) FFAR1FFAR4SLC6A4HRH3GABRP
SCHEMBL5048882 0.81 HRH3 (0.37) SLC6A4HRH3KDM4EALDH1A1
SCHEMBL1850254 0.79 GABRP (0.38) FFAR1FFAR4GABRPGABRDGABRA1
SCHEMBL2946865 0.78 GABRP (0.47) FFAR1FFAR4SLC6A4HRH3GABRP
SCHEMBL1851060 0.75 FFAR1 (0.37) FFAR1FFAR4ACACBPPARGPPARD
SCHEMBL1855218 0.73 PTGES (0.41) FFAR1FFAR4

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-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed