SCHEMBL739141

SCHEMBL739141

O=C(c1ccccc1)N1CCCC(c2nc3ccccc3[nH]2)C1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 11/20 0.71
POLB P06746 2/20 0.58
KDM4E B2RXH2 3/20 0.57
HPGD P15428 1/20 0.56

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
SCHEMBL1298694 0.93 HTR2B (0.83) HTR2BPOLBKDM4E
SCHEMBL1299373 0.93 HTR2B (0.83) HTR2BPOLBKDM4E
SCHEMBL1299672 0.93 HTR2B (0.83) HTR2BPOLBKDM4E
SCHEMBL2514536 0.89 HTR2B (0.61) HTR2BPOLBKDM4E
SCHEMBL2520100 0.89 HTR2B (0.61) HTR2BPOLBKDM4E
SCHEMBL742415 0.89 HTR2B (0.61) HTR2BPOLBKDM4E
SCHEMBL1299683 0.87 HTR2B (0.87) HTR2B
SCHEMBL20463440 0.86 HTR2B (0.86) HTR2B
SCHEMBL1299529 0.86 HTR2B (0.66) HTR2BPOLBKDM4E
SCHEMBL742064 0.85 POLB (0.56) HTR2BPOLBKDM4E

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