SCHEMBL5040216

SCHEMBL5040216

CCCCCCCCOc1ccc(C[N]Cc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.47
LTA4H P09960 1/20 0.46
FAAH O00519 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
PDK2 Q15119 1/20 0.44
NOS1 P29475 1/20 0.44
ATP4A P20648 1/20 0.44
ATP4B P51164 1/20 0.44
TP53 P04637 3/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAOB P27338 1/20 0.43
TSHR P16473 1/20 0.43
PLA2G4B P0C869 1/20 0.43
CACNA1B Q00975 1/20 0.43

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
SCHEMBL6023332 0.94 NR5A1 (0.42) NR5A1LTA4HFAAHNPC1RAB9A
SCHEMBL14382086 0.88 NR5A1 (0.59) NR5A1LTA4HNPC1RAB9ANOS1
SCHEMBL17518295 0.88 NR5A1 (0.59) NR5A1LTA4HNPC1RAB9ANOS1
SCHEMBL28423723 0.86 NR5A1 (0.56) NR5A1LTA4HNOS1ATP4AATP4B
SCHEMBL1857171 0.83 S1PR2 (0.54) NR5A1FAAHNPC1RAB9ALMNA
SCHEMBL6023242 0.83 MAOB (0.46) NR5A1LTA4HNPC1RAB9APDK2
SCHEMBL12409185 0.83 CHRNB2 (0.54) NR5A1LTA4HNOS1ATP4AATP4B
SCHEMBL4966332 0.82 FAAH (0.49) FAAHTP53LMNAHSD17B10
SCHEMBL5045622 0.81 FAAH (0.48) FAAHTP53LMNAHSD17B10
SCHEMBL5048334 0.81 FAAH (0.48) FAAHTP53LMNAHSD17B10

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 5 patents. 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
EP-1732534-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS Applied Research Systems ARS Holding N.V. (AN) 2006-12-20 EP claimed
WO-2005082347-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS APLLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-09-09 WO claimed
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