SCHEMBL9468619

SCHEMBL9468619

CCCCc1cc(C(=O)OCC)nn1CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
KMT2A Q03164 3/20 0.41
GAA P10253 1/20 0.41
FAAH O00519 2/20 0.41
CYP1A2 P05177 2/20 0.41
TP53 P04637 2/20 0.40
PTGER1 P34995 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDE5A O76074 1/20 0.38
PDE4B Q07343 1/20 0.38
CNR2 P34972 1/20 0.38
MEN1 O00255 1/20 0.38
GMNN O75496 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL1233429 0.88 KMT2A (0.43) MAPTKMT2AGAAFAAHCYP1A2
SCHEMBL4882370 0.86 CNR2 (0.46) CYP1A2CNR2
SCHEMBL1233563 0.85 MAPT (0.38) MAPTKMT2AGAAFAAHCYP1A2
SCHEMBL1234207 0.85 MAPT (0.45) MAPTKMT2AGAAFAAHCYP1A2
SCHEMBL22412805 0.84 MAPT (0.44) MAPTKMT2AGAAFAAHCYP1A2
SCHEMBL22412844 0.84 MAPT (0.44) MAPTKMT2AGAAFAAHCYP1A2
SCHEMBL1233839 0.83 MAPT (0.40) MAPTKMT2AGAAFAAHCYP1A2
SCHEMBL1233748 0.82 NR1H2 (0.41) MAPTKMT2AGAAFAAHCYP1A2
SCHEMBL1232533 0.82 KMT2A (0.40) MAPTKMT2AGAACYP1A2TP53
SCHEMBL1233460 0.80 CNR2 (0.37) MAPTKMT2AGAACYP1A2CNR2

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
US-5252593-A Hypotensive agents, cognition activators GLAXO GROUP LIMITED (GB) 1993-10-12 US disclosed
EP-0514217-A1 Antihypertensive benzofuran derivatives carrying 4-pyrazolylmethyl substituents GLAXO GROUP LIMITED (GB) 1992-11-19 EP disclosed