SCHEMBL7159138

SCHEMBL7159138

CCC1(CC)C=Cc2ccccc2N1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
NOS2 P35228 1/20 0.37
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.31
RAD52 P43351 1/20 0.31
NPC1 O15118 1/20 0.30

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
SCHEMBL4587067 0.78 GAA (0.42) MAPTGAANOS2HTTKDM4E
SCHEMBL251666 0.77 GAA (0.41) MAPTGAA
SCHEMBL2255782 0.74 MAPT (0.50) MAPTGAANOS2SMN1; SMN2RAB9A
SCHEMBL29789697 0.74 MAPT (0.50) MAPTGAANOS2SMN1; SMN2RAB9A
SCHEMBL6607968 0.71 GAA (0.46) MAPTGAANOS2KDM4EHPGD
SCHEMBL1726909 0.71 GAA (0.46) MAPTGAANOS2KDM4EHPGD
SCHEMBL1285713 0.71 MAPT (0.46) MAPTGAANOS2HTTSMN1; SMN2
SCHEMBL21145451 0.71 GAA (0.46) MAPTGAANOS2KDM4EHPGD
SCHEMBL27889582 0.70 MAPT (0.42) MAPTGAASMN1; SMN2RAB9AALDH1A1
Hydrochloric Acid SCHEMBL6991456 0.69 MAPT (0.41) MAPTGAANOS2SMN1; SMN2RAB9A

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-6534516-B1 Method of affecting androgen receptor activity comprising the in vivo administration of a composition LIGAND PHARMACEUTICALS INCORPORATED 2003-03-18 US disclosed
EP-0918774-B9 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2002-04-10 EP disclosed
EP-0918774-B1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2001-11-21 EP disclosed
US-6017924-A Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2000-01-25 US disclosed
EP-0918774-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 1999-06-02 EP disclosed
WO-1997049709-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-31 WO disclosed