SCHEMBL5134477

SCHEMBL5134477

Cc1ccc(NC(=O)Nc2cc(F)cc(CCCN3CCN(C(=O)O)C(C)C3)c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.42
HTR1A P08908 2/20 0.40
HTR1D P28221 2/20 0.40
HTR1B P28222 2/20 0.40
CCR3 P51677 6/20 0.40
DDX3X O00571 1/20 0.38
MAPK10 P53779 3/20 0.37
MAPK8 P45983 2/20 0.37
FPR3 P25089 2/20 0.37
FPR2 P25090 1/20 0.37
KIT P10721 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
CCR1 P32246 1/20 0.36
GPR65 Q8IYL9 1/20 0.36
GPR35 Q9HC97 1/20 0.36

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
SCHEMBL3201129 0.90 RORC (0.48) RORCFPR3CCR1GPR65GPR35
SCHEMBL3210124 0.86 HTR1A (0.45) HTR1AHTR1DHTR1BCCR3DDX3X
SCHEMBL545635 0.83 HTR1A (0.43) HTR1AHTR1DHTR1BDDX3XMAPK10
SCHEMBL401663 0.81 HTR1A (0.42) HTR1AHTR1DHTR1BDDX3XMAPK10
SCHEMBL402430 0.81 HTR1A (0.42) HTR1AHTR1DHTR1BCCR3DDX3X
SCHEMBL3208943 0.81 HTR1A (0.50) HTR1AHTR1DHTR1BDDX3XMAPK10
SCHEMBL402570 0.80 HRH2 (0.46) HTR1AHTR1DHTR1BDDX3X
SCHEMBL402096 0.79 CYP1A2 (0.46) HTR1AHTR1DHTR1BCCR3DDX3X
SCHEMBL401052 0.78 HTR1A (0.40) HTR1AHTR1DHTR1BDDX3XMAPK10
SCHEMBL5135180 0.78 RORC (0.45) RORCFPR3CCR1GPR65GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1959960-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 WO disclosed