SCHEMBL741003

SCHEMBL741003

O=C([C@H]1CCCN1)N1CCCC(c2nc3ccccc3[nH]2)C1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
KDM4E B2RXH2 3/20 0.53
HTR2B P41595 8/20 0.51
USP30 Q70CQ3 1/20 0.48
MAPK1 P28482 1/20 0.47

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
SCHEMBL741004 1.00 POLB (0.54) POLBKDM4EHTR2BUSP30MAPK1
SCHEMBL738960 0.83 HTR2B (0.53) POLBKDM4EHTR2BUSP30
SCHEMBL2514536 0.83 HTR2B (0.61) POLBKDM4EHTR2BUSP30MAPK1
SCHEMBL2520100 0.83 HTR2B (0.61) POLBKDM4EHTR2BUSP30MAPK1
SCHEMBL742415 0.83 HTR2B (0.61) POLBKDM4EHTR2BUSP30MAPK1
SCHEMBL741139 0.82 POLB (0.61) POLBKDM4EHTR2BUSP30MAPK1
SCHEMBL739141 0.80 HTR2B (0.71) POLBKDM4EHTR2B
SCHEMBL741695 0.80 POLB (0.53) POLBKDM4EHTR2BUSP30MAPK1
SCHEMBL13853671 0.79 POLB (0.62) POLBKDM4EHTR2BUSP30MAPK1
SCHEMBL740315 0.79 POLB (0.50) POLBKDM4EHTR2BUSP30MAPK1

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
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed