SCHEMBL739727

SCHEMBL739727

O=C(Nc1ccccc1-c1ccccc1)N1CCCC(c2nc3ccccc3[nH]2)C1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.59
HSD17B10 Q99714 1/20 0.55
HTR2B P41595 3/20 0.54
POLB P06746 3/20 0.54
MAPK1 P28482 1/20 0.52
HCRTR1 O43613 2/20 0.52
HCRTR2 O43614 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
USP30 Q70CQ3 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL741494 0.86 KDM4E (0.65) KDM4EHSD17B10HTR2BPOLBMAPK1
SCHEMBL13853671 0.81 POLB (0.62) KDM4EHSD17B10HTR2BPOLBMAPK1
SCHEMBL2514536 0.81 HTR2B (0.61) KDM4EHTR2BPOLBMAPK1SMN1; SMN2
SCHEMBL2520100 0.81 HTR2B (0.61) KDM4EHTR2BPOLBMAPK1SMN1; SMN2
SCHEMBL742415 0.81 HTR2B (0.61) KDM4EHTR2BPOLBMAPK1SMN1; SMN2
SCHEMBL742064 0.80 POLB (0.56) KDM4EHTR2BPOLBMAPK1SMN1; SMN2
SCHEMBL739110 0.79 KDM4E (0.67) KDM4EHSD17B10POLBMAPK1SMN1; SMN2
SCHEMBL741008 0.79 KDM4E (0.60) KDM4EHSD17B10HTR2BPOLBMAPK1
SCHEMBL763386 0.79 MAPK1 (0.79) KDM4EHTR2BPOLBMAPK1SMN1; SMN2
SCHEMBL741009 0.79 USP30 (0.63) KDM4EHTR2BPOLBMAPK1SMN1; 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 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