SCHEMBL739633

SCHEMBL739633

COc1cccc([C@@H](N)CC(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)c1OC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.48
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 1/20 0.46
HTR2B P41595 3/20 0.45
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GRIN2B Q13224 1/20 0.43
MAPT P10636 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
CFD P00746 1/20 0.42

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
SCHEMBL740464 0.83 GRIN2B (0.49) POLBKDM4EHTR2BMAPK1SMN1; SMN2
SCHEMBL741501 0.82 POLB (0.50) POLBKDM4EHTR2BMAPK1SMN1; SMN2
SCHEMBL762555 0.82 KDM4E (0.59) POLBKDM4EHTR2BMAPK1SMN1; SMN2
SCHEMBL740308 0.80 POLB (0.48) POLBKDM4EHTR2BMAPK1SMN1; SMN2
SCHEMBL741353 0.79 GRIN2B (0.57) POLBKDM4EHTR2BMAPK1SMN1; SMN2
SCHEMBL740360 0.78 GRIN2B (0.56) POLBKDM4EHTR2BMAPK1SMN1; SMN2
SCHEMBL739659 0.78 POLB (0.49) POLBKDM4EHTR2BMAPK1SMN1; SMN2
SCHEMBL740469 0.77 KDM4E (0.55) POLBKDM4EHTR2BMAPK1SMN1; SMN2
SCHEMBL741958 0.76 KDM4E (0.57) POLBKDM4EMAPK1SMN1; SMN2CYP1A2
SCHEMBL740997 0.76 POLB (0.49) POLBKDM4EHTR2BMAPK1SMN1; SMN2

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 4 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 claimed
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