SCHEMBL740482

SCHEMBL740482

COC(=O)[C@H](CC(C)C)NC(=O)N1CCCC(c2nc3ccccc3[nH]2)C1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.53
MAPK1 P28482 1/20 0.51
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPT P10636 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTR2B P41595 2/20 0.46
USP30 Q70CQ3 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45

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
SCHEMBL740483 1.00 POLB (0.53) POLBMAPK1KDM4ESMN1; SMN2CYP1A2
SCHEMBL739175 0.89 MAPK1 (0.56) POLBMAPK1KDM4ESMN1; SMN2CYP1A2
SCHEMBL740518 0.89 MAPK1 (0.56) POLBMAPK1KDM4ESMN1; SMN2CYP1A2
SCHEMBL739176 0.89 MAPK1 (0.56) POLBMAPK1KDM4ESMN1; SMN2CYP1A2
SCHEMBL13853671 0.80 POLB (0.62) POLBMAPK1KDM4ESMN1; SMN2CYP1A2
SCHEMBL738241 0.79 POLB (0.56) POLBMAPK1KDM4ESMN1; SMN2CYP1A2
SCHEMBL740765 0.77 POLB (0.78) POLBMAPK1KDM4ESMN1; SMN2CYP1A2
SCHEMBL739044 0.76 POLB (0.62) POLBMAPK1KDM4ESMN1; SMN2CYP1A2
SCHEMBL738959 0.76 POLB (0.58) POLBMAPK1KDM4ESMN1; SMN2CYP1A2
SCHEMBL741494 0.76 KDM4E (0.65) POLBMAPK1KDM4ESMN1; SMN2CYP1A2

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