SCHEMBL7183643

SCHEMBL7183643

COCCOc1cc2cn(CC(C)C)c(N(C)C(=O)O)c(-c3ccccc3)c-2cc1=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.33
PDE5A O76074 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
DPP4 P27487 2/20 0.32
BRPF1 P55201 1/20 0.32
ICMT O60725 1/20 0.32
BRD4 O60885 1/20 0.32
MCHR1 Q99705 1/20 0.32
P2RX3 P56373 1/20 0.31

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
SCHEMBL7005130 0.90 TP53 (0.35) TP53LMNAKMT2AALDH1A1DPP4
SCHEMBL7560366 0.88 PTGER1 (0.37) KMT2AKDM4EBRD4MCHR1
SCHEMBL7556767 0.80 DPP4 (0.37) DPP4ICMTBRD4
SCHEMBL5239007 0.70 DPP4 (0.54) DPP4
SCHEMBL7595947 0.63 DPP4 (0.39) DPP4ICMT
SCHEMBL5232923 0.60 DPP4 (0.57) DPP4
SCHEMBL1381646 0.60 HK2 (0.40) TP53LMNAALDH1A1BRD4
SCHEMBL5238084 0.59 DPP4 (0.55) PDE5ADPP4
SCHEMBL5234802 0.59 DPP4 (0.64) DPP4
SCHEMBL5234230 0.59 DPP4 (0.52) DPP4

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
EP-1355886-A1 FUSED HETEROCYCLIC COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP disclosed
WO-2002062764-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-15 WO disclosed