SCHEMBL884737

SCHEMBL884737

O=C(c1ccccc1-c1[c]cccc1)N1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
RECQL P46063 1/20 0.60
POLB P06746 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
GLA P06280 1/20 0.54
HTT P42858 3/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPK10 P53779 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KCNH2 Q12809 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL884711 0.98 TSHR (0.62) TSHRRECQLPOLBSMN1; SMN2GLA
SCHEMBL884837 0.95 TSHR (0.58) TSHRRECQLPOLBSMN1; SMN2GLA
SCHEMBL3769090 0.78 TSHR (0.56) TSHRRECQLPOLBSMN1; SMN2GLA
SCHEMBL30498780 0.78 TSHR (0.97) TSHRRECQLPOLBSMN1; SMN2GLA
SCHEMBL22692601 0.78 TSHR (0.97) TSHRRECQLPOLBSMN1; SMN2GLA
SCHEMBL7822892 0.78 L3MBTL1 (0.73) TSHRRECQLPOLBSMN1; SMN2GLA
SCHEMBL3760644 0.77 TSHR (0.57) TSHRRECQLPOLBSMN1; SMN2GLA
SCHEMBL10720608 0.76 TSHR (0.69) TSHRRECQLPOLBSMN1; SMN2GLA
SCHEMBL1642860 0.76 HPGD (0.55) TSHRRECQLSMN1; SMN2GLAHTT
SCHEMBL4057568 0.75 MAPT (0.68) TSHRRECQLPOLBSMN1; SMN2GLA

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-1940406-A2 POTASSIUM CHANNEL INHIBITORS Merck and Co., Inc. (US) 2008-07-09 EP claimed
WO-2007050348-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO claimed