SCHEMBL1855384

SCHEMBL1855384

CCCCCCCCC#Cc1ccc(CN(CC)Cc2ccccc2C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
KCNH2 Q12809 6/20 0.39
MMP2 P08253 1/20 0.37
MMP12 P39900 1/20 0.37
ALOX5 P09917 1/20 0.35
EPHX2 P34913 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
SCHEMBL1856884 0.84 FFAR1 (0.47) FFAR1FFAR4HRH3KCNH2MMP2
SCHEMBL6725373 0.83 FFAR1 (0.56) FFAR1FFAR4HRH3KCNH2MMP2
SCHEMBL1851716 0.82 FFAR1 (0.44) FFAR1FFAR4KCNH2MMP2MMP12
SCHEMBL1853472 0.82 FFAR1 (0.44) FFAR1FFAR4KCNH2MMP2MMP12
SCHEMBL1852716 0.82 FFAR1 (0.47) ACHEFFAR1FFAR4SLC6A2SLC6A4
SCHEMBL1854389 0.82 FFAR1 (0.47) ACHEFFAR1FFAR4SLC6A2SLC6A4
SCHEMBL6783491 0.81 FFAR1 (0.44) FFAR1FFAR4SLC6A2SLC6A4KCNH2
SCHEMBL1854088 0.79 FFAR1 (0.42) ACHEFFAR1FFAR4SLC6A2SLC6A4
SCHEMBL1849958 0.79 FFAR1 (0.42) ACHEFFAR1FFAR4SLC6A2SLC6A4
SCHEMBL1855383 0.78 FFAR1 (0.42) FFAR1FFAR4SLC6A2SLC6A4KCNH2

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-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP disclosed