SCHEMBL9735739

SCHEMBL9735739

Cn1cc(CC(OCC(O)CN)C(=O)c2ccccc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.37
HAT1 O14929 2/20 0.36
EP300 Q09472 2/20 0.36
OPRK1 P41145 2/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
MME P08473 1/20 0.34
CTSV O60911 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
KCNH2 Q12809 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL9736504 0.87 OPRM1 (0.40) OPRM1HAT1EP300OPRK1MEN1
SCHEMBL9736627 0.87 MEN1 (0.43) MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL9737262 0.83 ABCB1 (0.49) KMT2AALDH1A1PKM
SCHEMBL9737525 0.82 KDM4E (0.38) OPRM1HAT1EP300MEN1KMT2A
SCHEMBL9735615 0.81 LMNA (0.44) MEN1KMT2AALDH1A1
SCHEMBL9742031 0.80 OPRM1 (0.41) OPRM1HAT1EP300OPRK1MEN1
SCHEMBL9735892 0.80 ABCB1 (0.51) MEN1KMT2A
Oxalic Acid SCHEMBL10829714 0.80 MDM2 (0.46) KCNH2PKMMDM2
SCHEMBL9735929 0.77 OPRM1 (0.44) OPRM1HAT1EP300OPRK1JAK2
SCHEMBL9736392 0.77 ADRB2 (0.60) MEN1KMT2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5118685-A Antiarrhythmia agents BASF AKTIENGESELLSCHAFT (DE) 1992-06-02 US disclosed