SCHEMBL740792

SCHEMBL740792

N[C@H](C(=O)N1CCCC(c2nc3ccccc3[nH]2)C1)C1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 5/20 0.54
POLB P06746 2/20 0.52
KDM4E B2RXH2 3/20 0.52
USP30 Q70CQ3 1/20 0.48
DPP8 Q6V1X1 2/20 0.48
DPP4 P27487 1/20 0.48
DPP9 Q86TI2 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
MAPK1 P28482 1/20 0.46

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
SCHEMBL738959 0.86 POLB (0.58) HTR2BPOLBKDM4EUSP30MAPK1
SCHEMBL739966 0.86 POLB (0.58) HTR2BPOLBKDM4EUSP30MAPK1
SCHEMBL739172 0.84 POLB (0.56) HTR2BPOLBKDM4EUSP30MAPK1
SCHEMBL740722 0.83 POLB (0.60) HTR2BPOLBKDM4EMAPK1
SCHEMBL742129 0.83 POLB (0.55) HTR2BPOLBKDM4EUSP30MAPK1
SCHEMBL738586 0.83 POLB (0.55) HTR2BPOLBKDM4EUSP30MAPK1
SCHEMBL763405 0.82 POLB (0.53) HTR2BPOLBKDM4EMAPK1
SCHEMBL738241 0.82 POLB (0.56) HTR2BPOLBKDM4EMAPK1
SCHEMBL741246 0.82 POLB (0.53) HTR2BPOLBKDM4EMAPK1
SCHEMBL2520100 0.81 HTR2B (0.61) HTR2BPOLBKDM4EUSP30MAPK1

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