SCHEMBL361204

SCHEMBL361204

CCn1cc(-c2ccc(CC(O)CCNC(=O)c3ccc(OC(C)C(F)(F)F)c(Cl)c3)cc2)nc1CCNC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
CENPE Q02224 1/20 0.38
RORC P51449 2/20 0.38
KIFC1 Q9BW19 1/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.34
S1PR1 P21453 1/20 0.33
P2RX3 P56373 1/20 0.33
TSHR P16473 1/20 0.33
CCR3 P51677 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32

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
SCHEMBL4772000 0.93 CENPE (0.37) NPC1CENPERORCKIFC1MAPT
SCHEMBL4767596 0.85 CENPE (0.44) NPC1CENPEKIFC1MAPTS1PR1
SCHEMBL4774663 0.76 CENPE (0.44) CENPEKIFC1MAPTTP53S1PR1
SCHEMBL13161547 0.76 CENPE (0.46) NPC1CENPERORCKIFC1S1PR1
SCHEMBL14031344 0.76 CENPE (0.46) NPC1CENPERORCKIFC1S1PR1
SCHEMBL3463338 0.76 CENPE (0.46) NPC1CENPERORCKIFC1S1PR1
SCHEMBL3461552 0.75 CENPE (0.47) NPC1CENPERORCKIFC1S1PR1
SCHEMBL13161799 0.75 CENPE (0.47) NPC1CENPERORCKIFC1S1PR1
SCHEMBL14870670 0.75 CENPE (0.43) NPC1CENPERORCKIFC1S1PR1
SCHEMBL3224699 0.75 CENPE (0.45) NPC1CENPERORCKIFC1S1PR1

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-2582682-A1 METHODS OF TREATING LUNG DISEASE Cytokinetics, Inc. (US) 2013-04-24 EP disclosed
WO-2012009097-A1 METHODS OF TREATING LUNG DISEASE CYTOKINETICS, INC. (US) 2012-01-19 WO disclosed