SCHEMBL6022173

SCHEMBL6022173

CCCCCCCCCCC#Cc1ccc(CNCc2ccc(C(F)(F)F)cc2)c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
APP P05067 2/20 0.34
CYP3A4 P08684 3/20 0.34
SLC2A1 P11166 2/20 0.34
TSHR P16473 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
KCNH2 Q12809 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
APEX1 P27695 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL6721375 1.00 DNM1 (0.35) DNM1SCN8AAPPCYP3A4SLC2A1
SCHEMBL5044096 0.87 CYP3A4 (0.43) SCN8ACYP3A4TSHRFFAR1FFAR4
SCHEMBL5045111 0.85 CYP3A4 (0.38) CYP3A4TSHRFFAR1FFAR4KCNH2
SCHEMBL6824407 0.82 CYP3A4 (0.35) CYP3A4TSHRFFAR1FFAR4KCNH2
SCHEMBL1852603 0.82 CYP3A4 (0.35) CYP3A4TSHRFFAR1FFAR4KCNH2
SCHEMBL1852601 0.82 CYSLTR2 (0.35) CYP3A4TSHRFFAR1FFAR4KCNH2
SCHEMBL1852068 0.80 FFAR1 (0.49) SCN8AFFAR1FFAR4KCNH2CYP2C19
SCHEMBL4966912 0.80 FFAR1 (0.49) SCN8AFFAR1FFAR4KCNH2CYP2C19
SCHEMBL1850763 0.80 FFAR1 (0.49) SCN8AFFAR1FFAR4KCNH2CYP2C19
SCHEMBL1859815 0.80 FFAR1 (0.49) SCN8AFFAR1FFAR4KCNH2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP claimed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO claimed
EP-1732534-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS Applied Research Systems ARS Holding N.V. (AN) 2006-12-20 EP disclosed
WO-2005082347-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS APLLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-09-09 WO disclosed