SCHEMBL7045495

SCHEMBL7045495

C[N+](C=O)(c1ccc2c(c1)c(=O)n(Cc1ccccc1)c1nnc(C3CCCC3)n21)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.38
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
KMT2A Q03164 2/20 0.37
PLK1 P53350 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.34
ATM Q13315 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL6796438 0.80 PLK1 (0.48) L3MBTL1MAPTALDH1A1KDM4EHTT
SCHEMBL6802244 0.79 NPC1 (0.46) L3MBTL1MAPTALDH1A1KDM4EHTT
SCHEMBL6795642 0.78 L3MBTL1 (0.40) L3MBTL1MAPTALDH1A1KDM4EHTT
SCHEMBL6795111 0.77 NPC1 (0.54) MAPTKDM4EHTTRXFP1KMT2A
SCHEMBL6796357 0.76 RXFP1 (0.42) L3MBTL1MAPTALDH1A1KDM4EHTT
SCHEMBL6797644 0.75 RXFP1 (0.42) L3MBTL1MAPTALDH1A1KDM4EHTT
SCHEMBL6795645 0.74 NPC1 (0.61) L3MBTL1MAPTALDH1A1KDM4EHTT
SCHEMBL6796389 0.69 PDE1A (0.40) MAPTALDH1A1KDM4EHTTPLK1
SCHEMBL6797499 0.68 ALDH1A1 (0.44) L3MBTL1MAPTALDH1A1KDM4EHTT
SCHEMBL6795608 0.66 PDE1A (0.37) ALDH1A1PLK1NPSR1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1419159-A1 1-ALKYL 0R 1-CYCLOALKYLTRIAZOLO 4,3-A]QUINAZOLIN-5-ONES AS PHOSPHODIESTERASE INHIBITORS Warner-Lambert Company LLC (US) 2004-05-19 EP claimed
WO-2003016314-A1 1-ALKYL 0R 1-CYCLOALKYLTRIAZOLO[4,3-A]QUINAZOLIN-5-ONES AS PHOSPHODIESTERASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2003-02-27 WO claimed
EP-1419159-A1 1-ALKYL 0R 1-CYCLOALKYLTRIAZOLO 4,3-A]QUINAZOLIN-5-ONES AS PHOSPHODIESTERASE INHIBITORS Warner-Lambert Company LLC (US) 2004-05-19 EP disclosed
WO-2003016314-A1 1-ALKYL 0R 1-CYCLOALKYLTRIAZOLO[4,3-A]QUINAZOLIN-5-ONES AS PHOSPHODIESTERASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2003-02-27 WO disclosed