SCHEMBL8097032

SCHEMBL8097032

Cc1cccc([CH]Cc2cccc(C)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAOB P27338 3/20 0.49
MAOA P21397 2/20 0.49
NPC1 O15118 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
TAAR1 Q96RJ0 2/20 0.47
ALOX5 P09917 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
IDO1 P14902 2/20 0.46
RELA Q04206 1/20 0.44
FBP1 P09467 1/20 0.44
ACHE P22303 2/20 0.42
HRH3 Q9Y5N1 1/20 0.40
CYP1A2 P05177 1/20 0.39

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
SCHEMBL8207446 0.90 TP53 (0.48) TP53TDP1MAOBMAOANPC1
SCHEMBL51754 0.86 TAAR1 (0.46) TP53TDP1MAOBMAOANPC1
SCHEMBL4953933 0.86 TP53 (0.48) TP53TDP1MAOBMAOANPC1
SCHEMBL9451937 0.85 MAOB (0.56) TDP1MAOBMAOANPC1RELA
SCHEMBL31298991 0.82 PTGS1 (0.49) TP53TDP1MAOBMAOANPC1
SCHEMBL30189580 0.82 PTGS1 (0.49) TP53TDP1MAOBMAOANPC1
SCHEMBL16494233 0.82 TP53 (0.44) TP53TDP1MAOBMAOANPC1
SCHEMBL8555936 0.82 TDP1 (0.44) TP53TDP1MAOBMAOANPC1
SCHEMBL7377625 0.81 VNN1 (0.45) TP53TDP1CYP1A2
SCHEMBL1611151 0.79 TP53 (0.58) TP53TDP1MAOBMAOANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6133276-A A LIGAND INHIBITOR OF A CRF/CRF-BINDING PROTEIN COMPLEX TO EFFECT INCREASED LEVELS OF CRF; 2,4-DIOXO- OR 2-THIOCARBONYL-4-OXO-5-(HYDROCARBYL(THIO)CARBONYLAMINOMETHYL)-6-HYDROXY-HEXA-HEXAHYDROPYRIMIDINES; ALZHEIMER'S, OBESITY; LOW SIDE EFFECTS NEUROCRINE BIOSCIENCES, INC. (US) 2000-10-17 US disclosed
EP-0929217-A4 SORDARIN DERIVATIVES MERCK & CO INC (US) 1999-12-15 EP disclosed
US-5959109-A A LIGAND INHIBITOR CAUSES RELASES OF CORTICOTROPIN-RELEASING FACTOR FROM THE CORTICOTROPIN/CORTICOTROPIN-BINDING PROTEIN COMPLEX, PROVIDES IMPROVEMENT IN LEARNING AND MEMORY NEUROCRINE BIOSCIENCES, INC. (US) 1999-09-28 US disclosed
EP-0929217-A1 SORDARIN DERIVATIVES Merck & Co., Inc. (US) 1999-07-21 EP disclosed
WO-1998015178-A1 SORDARIN DERIVATIVES MERCK & CO., INC. (US) 1998-04-16 WO disclosed