SCHEMBL7979073

SCHEMBL7979073

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
HSD17B10 Q99714 2/20 0.61
ALOX15 P16050 1/20 0.61
ALOX12 P18054 1/20 0.61
NR4A1 P22736 1/20 0.61
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TP53 P04637 5/20 0.56
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 2/20 0.51
HTT P42858 1/20 0.51
NPC1 O15118 1/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 3/20 0.49
POLB P06746 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL7658686 0.89 KMT2A (0.53) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7656209 0.89 MAPT (0.47) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7659357 0.89 MEN1 (0.56) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7649761 0.89 MAPT (0.46) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7658605 0.87 MAPT (0.46) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7656225 0.87 MAPT (0.54) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7991313 0.86 L3MBTL3 (0.45) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7658055 0.86 MAPT (0.45) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7653791 0.86 MAPT (0.45) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7662103 0.86 MAPT (0.45) 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 4 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
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