SCHEMBL884456

SCHEMBL884456

O=C(CI)N1CCCC(n2c(-c3ccccc3)c(C(=O)N3CCNCC3)n(CC3CCCCC3)c2=O)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
REN P00797 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HIF1A Q16665 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3R2 O00459 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
PIK3R5 Q8WYR1 1/20 0.34
PIK3R3 Q92569 1/20 0.34
ENPP2 Q13822 1/20 0.34
USP19 O94966 3/20 0.33
KDM4E B2RXH2 2/20 0.33
BRD4 O60885 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL2063146 0.90 BRD4 (0.38) MAPK8DRD2DRD4DRD3REN
SCHEMBL884267 0.87 LMNA (0.35) RENALDH1A1MEN1KMT2A
SCHEMBL884467 0.84 SMN1; SMN2 (0.40) ALDH1A1KDM4ENPSR1MEN1KMT2A
SCHEMBL884926 0.81 ALDH1A1 (0.44) DRD2DRD4ALDH1A1HIF1AKDM4E
SCHEMBL886800 0.81 MAPK8 (0.39) MAPK8DRD2DRD4DRD3ALDH1A1
SCHEMBL2063063 0.81 MAPK8 (0.39) MAPK8DRD2DRD4DRD3ALDH1A1
SCHEMBL886801 0.81 MAPK8 (0.39) MAPK8DRD2DRD4DRD3ALDH1A1
SCHEMBL886798 0.79 ENPP2 (0.35) RENALDH1A1ENPP2USP19BRD4
SCHEMBL2063270 0.78 SIGMAR1 (0.44) ALDH1A1KDM4E
SCHEMBL2062942 0.78 CYP2D6 (0.37) DRD2DRD4DRD3RENALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO claimed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO disclosed