SCHEMBL5044186

SCHEMBL5044186

CCCCCCc1ccc(C#Cc2ccc(CNC(C)(C)c3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.41
S1PR3 Q99500 7/20 0.41
S1PR2 O95136 5/20 0.41
S1PR4 O95977 4/20 0.41
PLK1 P53350 1/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
FAAH O00519 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
ESR1 P03372 2/20 0.37
ADRA2A P08913 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
TACR2 P21452 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL1855128 0.87 S1PR1 (0.50) S1PR1S1PR3S1PR2S1PR4PLK1
SCHEMBL1854388 0.87 S1PR1 (0.50) S1PR1S1PR3S1PR2S1PR4PLK1
SCHEMBL1852885 0.87 FFAR1 (0.45) PLK1FAAHHDAC1HDAC8SLC6A4
Hydrochloric Acid SCHEMBL1855393 0.86 S1PR1 (0.49) S1PR1S1PR3S1PR2S1PR4PLK1
SCHEMBL17225164 0.85 HSD17B10 (0.49) PLK1HSD17B10TSHRFAAHHDAC1
SCHEMBL4965818 0.82 S1PR1 (0.43) S1PR1S1PR3S1PR2S1PR4HDAC1
SCHEMBL1855408 0.80 SCN5A (0.40) S1PR1S1PR3S1PR2S1PR4PLK1
SCHEMBL5044821 0.80 HSD17B10 (0.44) S1PR1S1PR3S1PR4PLK1HSD17B10
SCHEMBL5039909 0.80 HSD17B10 (0.44) S1PR1S1PR3S1PR4PLK1HSD17B10
SCHEMBL5045143 0.79 PTGES (0.45) S1PR1S1PR3S1PR2S1PR4PLK1

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