SCHEMBL6465869

SCHEMBL6465869

N#CCC1(NC(=O)O)CCCC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.35
CTSK P43235 1/20 0.34
DPP4 P27487 6/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2C19 P33261 1/20 0.32
CTSB P07858 6/20 0.31
CTSS P25774 4/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
CACNA2D1 P54289 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30

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
SCHEMBL6138265 0.92 CTSL (0.30) CTSL
SCHEMBL16486253 0.80 JAK2 (0.31) JAK2JAK1
SCHEMBL16486198 0.79 KMT2A (0.35) LMNABLM
SCHEMBL7157738 0.76 CYP2C19 (0.33) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL5019821 0.75 CYP2C19 (0.48) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL3370066 0.74 CTSL (0.41) CTSLCTSKDPP4CTSBCTSS
SCHEMBL9104945 0.74 MME (0.45) DPP4CYP2C19ALDH1A1
SCHEMBL22765979 0.73 P2RX7 (0.41) CTSLCTSKDPP4CTSBCTSS
SCHEMBL23573562 0.72 MME (0.37) CYP2C19ALDH1A1LMNA
SCHEMBL14165607 0.72 ALDH1A1 (0.42) CYP2C19USP2ALDH1A1LMNACYP1A2

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-1603915-A1 SUBSTITUTED 8 -PYRIDINYL-DIHYDROSPIRO- CYCLOALKYL -PYRIMIDO 1,2-a PYRIMIDIN-6-ONE AND 8 -PYRIMIDIN YL-DIHYDROSPIRO- CYCLOALKYL -PYRIMIDO 1,2-a PYRIMIDIN-6-ONE DERIVATIVES AND THEIR USE AGAINST NEUROGENERATIVE DISEASES Sanofi-Aventis (FR) 2005-12-14 EP disclosed
WO-2004078760-A1 SUBSTITUTED 8'-PYRIDINYL-DIHYDROSPIRO-[CYCLOALKYL]-PYRIMIDO [1,2-a] PYRIMIDIN-6-ONE AND 8'-PYRIMIDINYL-DIHYDROSPIRO-[CYCLOALKYL]-PYRIMIDO [1,2-a] PYRIMIDIN-6-ONE DERIVATIVES AND THEIR USE AGAINST NEUROGENERATIVE DISEASES SANOFI-AVENTIS (FR) 2004-09-16 WO disclosed