SCHEMBL8093196

SCHEMBL8093196

CCc1ccccc1NCCCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.53
SIGMAR1 Q99720 9/20 0.51
GAA P10253 1/20 0.50
KDM6B O15054 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
KDM4E B2RXH2 1/20 0.47
ASPH Q12797 1/20 0.47
RIOX2 Q8IUF8 1/20 0.47
KDM8 Q8N371 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
GRM2 Q14416 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
SCHEMBL8084522 0.95 HDAC6 (0.51) L3MBTL1KMT2AMEN1SIGMAR1GAA
SCHEMBL6513356 0.88 GAA (0.54) L3MBTL1KMT2AMEN1SIGMAR1GAA
SCHEMBL10407866 0.82 POLB (0.54) L3MBTL1SIGMAR1GAAHDAC6
SCHEMBL3248990 0.81 POLB (0.53) L3MBTL1
SCHEMBL10408718 0.81 POLB (0.53) L3MBTL1
SCHEMBL10407954 0.81 POLB (0.53) L3MBTL1
SCHEMBL3966040 0.80 POLB (0.60) L3MBTL1GAAKDM6BKDM4CKDM4E
SCHEMBL30806170 0.80 MAPT (0.54) KMT2AMEN1SIGMAR1GAAHDAC6
SCHEMBL18289061 0.78 ALDH1A1 (0.43) L3MBTL1GAA
SCHEMBL19495506 0.78 HSD17B10 (0.53) L3MBTL1GAAKDM4EGRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057371-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS, DRUG ABUSE, ANGINA, MIGRAINE, HYPERTENSION AND DEPRESSION VIRGINIA COMMONWEALTH UNIVERSITY (US) 2000-05-02 US disclosed
EP-0591426-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-04-13 EP disclosed
WO-1993000313-A2 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-01-07 WO disclosed