SCHEMBL4295224

SCHEMBL4295224

Cc1ccc(N(C(=O)Nc2cccc(CN3CCN(S(=O)(=O)N(C)C)CC3)c2)c2ccccc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 7/20 0.45
HTR1A P08908 2/20 0.44
HTR1D P28221 2/20 0.44
HTR1B P28222 2/20 0.44
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FAAH O00519 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
ICAM1 P05362 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL401714 0.84 ACKR3 (0.49) ACKR3HTR1AHTR1DHTR1BALDH1A1
SCHEMBL402629 0.78 HTR1A (0.54) ACKR3HTR1AALDH1A1FAAHKDM4E
SCHEMBL3734785 0.77 NAMPT (0.47)
SCHEMBL5946682 0.76 ICAM1 (0.41) ACKR3HTR1AHTR1DHTR1BALDH1A1
SCHEMBL401272 0.76 HTR1A (0.53) HTR1AHTR1DHTR1B
SCHEMBL3736252 0.74 NAMPT (0.42) ACKR3ALDH1A1KDM4EICAM1
SCHEMBL3742162 0.74 NAMPT (0.42) ACKR3ALDH1A1KDM4EICAM1
SCHEMBL402086 0.74 ACKR3 (0.51) ACKR3HTR1AHTR1DHTR1BALDH1A1
SCHEMBL3731787 0.72 NAMPT (0.45) ICAM1SMN1; SMN2
SCHEMBL401393 0.72 CYP1A2 (0.48) HTR1AHTR1DHTR1BALDH1A1FAAH

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