SCHEMBL4401571

SCHEMBL4401571

O=C(NC1CCN(CCN2CCCCCC2)CC1)Oc1cc2c(-c3ccncc3)cccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.39
WNT1 P04628 1/20 0.38
DYRK1A Q13627 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
ROCK1 Q13464 2/20 0.37
PRKACA P17612 1/20 0.37
ROCK2 O75116 1/20 0.37
HTR1A P08908 1/20 0.36
HTR7 P34969 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
SCHEMBL4396337 0.92 HTR7 (0.43) HTR1AHTR7
SCHEMBL4396410 0.90 L3MBTL1 (0.40) WNT1DYRK1A
SCHEMBL4406835 0.89 CHRM3 (0.40) WNT1DYRK1ASIGMAR1
SCHEMBL4396992 0.88 KMT2A (0.41) DYRK1ASIGMAR1
SCHEMBL4394199 0.87 CHRM3 (0.41) HPGDSWNT1DYRK1AHTR1AHTR7
SCHEMBL4396457 0.86 HRH3 (0.42) HTR1AHTR7
SCHEMBL4410349 0.86 HRH3 (0.42) HTR1AHTR7
SCHEMBL4405673 0.86 CHRM3 (0.42) WNT1DYRK1A
SCHEMBL4396957 0.85 TLR9 (0.42) HPGDSWNT1DYRK1ASIGMAR1HTR7
SCHEMBL4396593 0.85 CHRM3 (0.42) WNT1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP claimed