SCHEMBL4299685

SCHEMBL4299685

CCS(=O)(=O)N1CCN(CCCc2cc(F)cc(NC(=O)N(c3ccccc3)c3ccc(OC)nc3)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 5/20 0.40
DCUN1D1 Q96GG9 5/20 0.40
MCHR1 Q99705 1/20 0.36
LMNA P02545 4/20 0.36
SIGMAR1 Q99720 1/20 0.35
F13A1 P00488 1/20 0.35
TGM2 P21980 1/20 0.35
TGM1 P22735 1/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
QPCT Q16769 1/20 0.35
MAPK14 Q16539 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
S1PR2 O95136 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL400383 0.84 KMT2A (0.45) LMNAMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL399090 0.74 HTR1A (0.50) LMNAMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL3204846 0.74 MEN1 (0.47) LMNASIGMAR1MAPTSMN1; SMN2KMT2A
SCHEMBL402430 0.73 HTR1A (0.42) MAPTKMT2AMEN1CYP1A2
SCHEMBL400040 0.72 MEN1 (0.47) LMNAMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL400961 0.72 MEN1 (0.47) LMNAMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL23573834 0.70 PIK3CA (0.45) SIGMAR1MAPTQPCTALDH1A1RAB9A
SCHEMBL402096 0.66 CYP1A2 (0.46) LMNAALDH1A1CYP1A2
SCHEMBL4293362 0.66 HTR1A (0.39) UBE2MDCUN1D1F13A1TGM2TGM1
SCHEMBL401535 0.65 HTR1A (0.50) SIGMAR1MAPTSMN1; SMN2KMT2AMEN1

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 3 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 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