SCHEMBL9699116

SCHEMBL9699116

CN1CCC(NC2CCCCC2)C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
HSD17B10 Q99714 1/20 0.52
THRB P10828 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
OPRK1 P41145 5/20 0.36
KAT2B Q92831 5/20 0.36
KDM4E B2RXH2 1/20 0.36
EPHX2 P34913 2/20 0.35
EPHX1 P07099 1/20 0.35
KDM1A O60341 1/20 0.35
DPP7 Q9UHL4 1/20 0.34
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33

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
SCHEMBL19575589 0.98 ALDH1A1 (0.48) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL25103790 0.93 ALDH1A1 (0.42) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL21872432 0.93 ALDH1A1 (0.42) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL18912152 0.93 ALDH1A1 (0.42) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL19575423 0.89 ALDH1A1 (0.39) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL19575583 0.89 ALDH1A1 (0.48) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL10086228 0.89 KDM1A (0.38) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL24165493 0.89 KDM1A (0.38) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL18379139 0.89 KDM1A (0.42) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL13200791 0.89 ALDH1A1 (0.60) ALDH1A1HSD17B10THRBATML3MBTL1

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
WO-2023034836-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. (US) 2023-03-09 WO disclosed
US-5109013-A 2-(2-substituted aminoethyl)-1,4-dialkyl-3,4-dihydro-1H-1,3,5]triazepino[3,2-a]benzimidazol-5(2H)-ones as muscle relaxants A. H. ROBINS COMPANY, INCORPORATED (US) 1992-04-28 US disclosed