SCHEMBL5136759

SCHEMBL5136759

Cc1ccc(NC(=O)Nc2c(F)c(F)cc(CN3CCN(C(=O)O)C(C)C3)c2F)cn1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 11/20 0.46
NPSR1 Q6W5P4 1/20 0.39
KIT P10721 2/20 0.38
KCNH2 Q12809 1/20 0.38
OGA O60502 1/20 0.37
ENPP2 Q13822 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
CCR1 P32246 1/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 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
SCHEMBL3196401 0.86 NPSR1 (0.43) RORCNPSR1OGAKCNQ3KCNQ2
SCHEMBL5135180 0.85 RORC (0.45) RORCENPP2CCR1
SCHEMBL3200068 0.84 RORC (0.47) RORCNPSR1
SCHEMBL3214027 0.84 RORC (0.47) RORCNPSR1
SCHEMBL3208737 0.84 RORC (0.47) RORCNPSR1
SCHEMBL3201129 0.82 RORC (0.48) RORCKCNH2ENPP2CCR1
SCHEMBL402294 0.81 NPSR1 (0.41) RORCNPSR1KCNQ3KCNQ2
SCHEMBL3214394 0.77 RORC (0.47) RORCNPSR1
SCHEMBL3209497 0.77 RORC (0.47) RORCNPSR1
SCHEMBL3191043 0.76 RORC (0.46) RORCNPSR1KCNH2

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