SCHEMBL7993838

SCHEMBL7993838

CCOc1ccc(C(=O)Nc2ccc3c(c2)C(C)N(C)CC3)cc1Br

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
HSD17B10 Q99714 2/20 0.65
ALOX15 P16050 1/20 0.65
ALOX12 P18054 1/20 0.65
NR4A1 P22736 1/20 0.65
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
TP53 P04637 4/20 0.56
KDM4E B2RXH2 2/20 0.52
HTT P42858 1/20 0.52
NPC1 O15118 1/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 3/20 0.48
POLB P06746 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL7653696 0.87 MAPT (0.61) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7990114 0.86 MAPT (0.46) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7654514 0.84 MAPT (0.56) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7008578 0.83 MAPT (0.56) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL6293914 0.83 MAPT (0.68) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7012423 0.83 MAPT (0.55) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7657907 0.82 MAPT (0.63) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL6294927 0.80 MAPT (0.61) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL6706024 0.80 MAPT (0.56) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL6294891 0.80 MAPT (0.61) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6277861-B1 FOR TREATMENT AND PROPHYLAXIS OF NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS, MUSCULAR DISORDERS, DRUG ADDICTION WITHDRAWAL, PAIN SMITHKLINE BEECHAM, P.L.C. (GB) 2001-08-21 US claimed
EP-0971897-A1 ANTI-CONVULSANT ISOQUINOLYL-BENZAMIDE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2000-01-19 EP claimed
WO-1998041507-A1 ANTI-CONVULSANT ISOQUINOLYL-BENZAMIDE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1998-09-24 WO claimed
US-6277861-B1 FOR TREATMENT AND PROPHYLAXIS OF NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS, MUSCULAR DISORDERS, DRUG ADDICTION WITHDRAWAL, PAIN SMITHKLINE BEECHAM, P.L.C. (GB) 2001-08-21 US disclosed
EP-0971897-A1 ANTI-CONVULSANT ISOQUINOLYL-BENZAMIDE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2000-01-19 EP disclosed
WO-1998041507-A1 ANTI-CONVULSANT ISOQUINOLYL-BENZAMIDE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1998-09-24 WO disclosed