SCHEMBL4722569

SCHEMBL4722569

Cc1ccc(NC(=O)Nc2cccc(CCN3CCN(C)CC3)c2F)cn1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 5/20 0.48
DDX3X O00571 2/20 0.46
NPSR1 Q6W5P4 1/20 0.44
MAPK8 P45983 4/20 0.43
MAPK10 P53779 4/20 0.43
HTR1A P08908 4/20 0.43
HTR1D P28221 3/20 0.43
HTR1B P28222 3/20 0.43
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD2 P14416 1/20 0.40
MAPK9 P45984 1/20 0.39

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
SCHEMBL5653128 0.92 CCR3 (0.46) CCR3DDX3XNPSR1MAPK8MAPK10
SCHEMBL3198122 0.91 NPC1 (0.49) CCR3DDX3XNPSR1MAPK8MAPK10
SCHEMBL5330443 0.90 CCR3 (0.44) CCR3DDX3XNPSR1MAPK8MAPK10
SCHEMBL3211025 0.87 RORC (0.46) CCR3DDX3XNPSR1MAPK8MAPK10
SCHEMBL460041 0.87 DDX3X (0.43) CCR3DDX3XNPSR1MAPK8MAPK10
SCHEMBL3196716 0.87 NPC1 (0.53) CCR3NPSR1MAPK8MAPK10HTR1A
SCHEMBL10315559 0.87 HRH3 (0.46) CCR3DDX3XNPSR1MAPK8MAPK10
SCHEMBL3199702 0.86 DDX3X (0.43) CCR3DDX3XNPSR1MAPK8MAPK10
SCHEMBL401118 0.85 DDX3X (0.42) CCR3DDX3XNPSR1MAPK8MAPK10
SCHEMBL401388 0.85 MAPK10 (0.43) CCR3DDX3XNPSR1MAPK8MAPK10

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-1959947-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
WO-2007075377-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-07-05 WO disclosed