SCHEMBL3719490

SCHEMBL3719490

Brc1cnc(CCc2ccccc2)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.62
DAO P14920 2/20 0.57
MMP2 P08253 2/20 0.51
MMP9 P14780 1/20 0.48
MMP13 P45452 1/20 0.48
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
BRS3 P32247 5/20 0.46
HPGDS O60760 1/20 0.43
AOC3 Q16853 1/20 0.43
TAAR1 Q96RJ0 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
RNASEH1 O60930 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
SCHEMBL1501842 0.76 PDE10A (1.00) PDE10ADAOMMP2BRS3HPGDS
SCHEMBL9938772 0.74 MMP2 (0.71) PDE10ADAOMMP2MMP9MMP13
SCHEMBL9938012 0.74 PDE10A (0.57) PDE10ADAOMMP2MMP9MMP13
SCHEMBL1196577 0.73 CYP1A2 (0.43) PDE10AAOC3TAAR1
SCHEMBL22307356 0.73 PDE10A (0.84) PDE10ADAOMMP2BRS3HPGDS
SCHEMBL14486412 0.73 DAO (1.00) PDE10ADAOMMP2MMP9MMP13
SCHEMBL22361953 0.72
SCHEMBL3520010 0.69 DAO (0.62) PDE10ADAOMMP2MMP9MMP13
SCHEMBL3344549 0.69 MEN1 (0.58) PDE10ADAOMMP2MMP9MMP13
SCHEMBL23461156 0.68 TAAR1 (0.49) DAORAB9ANPC1TAAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010136438-A1 (DIHYDRO) IMIDAZOISO (5, 1-A) QUINOLINES AS FSH RECEPTOR AGONISTS FOR THE TREATMENT OF FERTILITY DISORDERS N.V. ORGANON (NL) 2010-12-02 WO disclosed