SCHEMBL4965818

SCHEMBL4965818

CCCCc1ccc(C#Cc2ccc(CNCc3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.43
S1PR3 Q99500 6/20 0.43
S1PR2 O95136 4/20 0.43
S1PR4 O95977 3/20 0.43
KCNH2 Q12809 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SCN8A Q9UQD0 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
RORC P51449 1/20 0.39
ALDH1A1 P00352 1/20 0.39
FFAR1 O14842 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38

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 0.94 S1PR1 (0.50) S1PR1S1PR3S1PR2S1PR4KCNH2
SCHEMBL1854388 0.94 S1PR1 (0.50) S1PR1S1PR3S1PR2S1PR4KCNH2
Hydrochloric Acid SCHEMBL1855393 0.93 S1PR1 (0.49) S1PR1S1PR3S1PR2S1PR4KCNH2
SCHEMBL5044434 0.90 S1PR1 (0.48) S1PR1S1PR3S1PR2S1PR4KCNH2
SCHEMBL17225164 0.86 HSD17B10 (0.49) HDAC1HDAC8TAAR1ALDH1A1FFAR1
SCHEMBL5045143 0.86 PTGES (0.45) S1PR1S1PR3S1PR2S1PR4SCN8A
SCHEMBL4966334 0.85 S1PR1 (0.57) S1PR1S1PR3S1PR2S1PR4HDAC1
SCHEMBL5045624 0.84 S1PR1 (0.56) S1PR1S1PR3S1PR2S1PR4HDAC1
SCHEMBL4964614 0.84 S1PR1 (0.56) S1PR1S1PR3S1PR2S1PR4HDAC1
SCHEMBL5048891 0.83 FFAR1 (0.41) HDAC1HDAC8TAAR1FFAR1PTGDR2

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-1904048-A1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS LABORATOIRES SERONO S.A. (CH) 2008-04-02 EP disclosed
WO-2007009959-A1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS LABORATOIRES SERONO S.A. (CH) 2007-01-25 WO disclosed
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