SCHEMBL7368988

SCHEMBL7368988

CCOc1ccc(NC(=O)c2cn(CC)c3c2C(=O)CCC3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
NPC1 O15118 7/20 0.48
RAB9A P51151 7/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
AURKA O14965 3/20 0.48
TP53 P04637 4/20 0.47
KMT2A Q03164 4/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 3/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TSHR P16473 1/20 0.47
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 2/20 0.46
POLB P06746 2/20 0.45

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
SCHEMBL6772013 0.88 LMNA (0.50) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL7392174 0.76 TP53 (0.52) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL7363009 0.74 TP53 (0.55) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL7397886 0.71 NPC1 (0.54) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL7399239 0.70 TP53 (0.48) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL7360974 0.70 TP53 (0.48) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL7400121 0.70 TAS1R3 (0.49) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL2394809 0.69 KDM4E (0.43) NPC1RAB9AKMT2ALMNAMEN1
SCHEMBL5735674 0.67 MAPT (0.43) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL7189487 0.66 NPC1 (0.72) MAPTNPC1RAB9ASMN1; SMN2TP53

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
WO-1998002420-A9 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS 1998-04-23 WO claimed
WO-1998002420-A1 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1998-01-22 WO claimed
US-5925770-A GAMMA-AMINOBUTYRIC ACID DERIVATIVES FOR DIAGNOSIS OR TREATMENT OF ANXIETY, SLEEP DISORDERS, SEIZURES, OVERDOSES OF BENZODIAZEPINE TYPE DRUGS, COGNITION ACTIVATORS NEUROGEN CORPORATION (US) 1999-07-20 US disclosed
US-5750702-A Certain pyrrolo pyridine-3-carboxamides; a new class of GABA brain receptor ligands NEUROGEN CORPORATION (US) 1998-05-12 US disclosed
WO-1998002420-A9 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS 1998-04-23 WO disclosed
WO-1998002420-A1 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1998-01-22 WO disclosed