SCHEMBL4003549

SCHEMBL4003549

CCC(=O)N(C)[C@@]1(Cc2ccc(F)c(NC(=O)Nc3ccc(C)nc3)c2)CCCNC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 1/20 0.37
ROCK2 O75116 1/20 0.36
LIMK1 P53667 1/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
FPR2 P25090 1/20 0.35
MAPK8 P45983 3/20 0.35
MAPK10 P53779 3/20 0.35
MAPK9 P45984 1/20 0.34
KDR P35968 3/20 0.33
PDGFRB P09619 2/20 0.33
PARP1 P09874 2/20 0.33
CSF1R P07333 1/20 0.33
CHEK1 O14757 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL4011639 1.00 NPC1 (0.37) NPC1MAPTRAB9ASMN1; SMN2PKM
SCHEMBL4006515 0.95 NPC1 (0.38) NPC1MAPTRAB9ASMN1; SMN2PKM
SCHEMBL4006416 0.95 NPC1 (0.38) NPC1MAPTRAB9ASMN1; SMN2PKM
SCHEMBL4012614 0.92 ROCK2 (0.37) NPC1MAPTRAB9ASMN1; SMN2PKM
SCHEMBL4012401 0.90 ROCK2 (0.36) NPC1MAPTRAB9ASMN1; SMN2PKM
SCHEMBL4012717 0.90 ROCK2 (0.36) NPC1MAPTRAB9ASMN1; SMN2PKM
SCHEMBL4006519 0.88 ROCK2 (0.34) NPC1MAPTRAB9ASMN1; SMN2PKM
SCHEMBL4005899 0.88 KCNQ3 (0.35) NPC1MAPTRAB9ASMN1; SMN2PKM
SCHEMBL4009237 0.87 ROCK2 (0.38) NPC1MAPTRAB9ASMN1; SMN2PKM
SCHEMBL4002494 0.87 ROCK2 (0.38) NPC1MAPTRAB9ASMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765327-A4 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2009-06-17 EP claimed
EP-1765327-A2 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2007-03-28 EP claimed
WO-2006009726-A2 SUBSTITUTED UREA DERIVATIVES FOR TREATING CARDIAC DISEASES CYTOKINETICS, INC. (US) 2006-01-26 WO claimed
EP-1765327-A4 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2009-06-17 EP disclosed
EP-1765327-A2 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2007-03-28 EP disclosed
WO-2006009726-A2 SUBSTITUTED UREA DERIVATIVES FOR TREATING CARDIAC DISEASES CYTOKINETICS, INC. (US) 2006-01-26 WO disclosed