SCHEMBL7623946

SCHEMBL7623946

[c]1c[nH]c(CCc2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.46
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
DAO P14920 3/20 0.42
TAAR1 Q96RJ0 3/20 0.42
KCNH2 Q12809 1/20 0.39
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
RNASEH1 O60930 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL405100 0.82 TAAR1 (0.48) RAB9ANPC1DAOTAAR1RNASEH1
SCHEMBL570036 0.71 TAAR1 (0.69) PDE10ARAB9ANPC1DAOTAAR1
SCHEMBL3679069 0.71 TAAR1 (0.47) PDE10ARAB9ANPC1DAOTAAR1
Hydrochloric Acid SCHEMBL1846181 0.69 TAAR1 (0.67) PDE10ARAB9ANPC1TAAR1MAOA
Benzene SCHEMBL3440179 0.68 ALDH1A1 (0.69) TAAR1KCNH2MAOAMAOBALDH1A1
SCHEMBL9741303 0.68 ALDH1A1 (0.69) TAAR1KCNH2MAOAMAOBALDH1A1
SCHEMBL62125 0.68 ALDH1A1 (0.69) TAAR1KCNH2MAOAMAOBALDH1A1
SCHEMBL10704195 0.68 RAB9A (0.46) PDE10ARAB9ANPC1DAOTAAR1
SCHEMBL25403475 0.65 ALDH1A1 (0.65) TAAR1KCNH2MAOAMAOBALDH1A1
SCHEMBL11747668 0.65 ALDH1A1 (0.65) TAAR1KCNH2MAOAMAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1232166-A2 SYNTHESIS OF 2'-DEOXY-L-NUCLEOSIDES Pharmasset Limited (US) 2002-08-21 EP disclosed
WO-2001034618-A2 SYNTHESIS OF 2'-DEOXY-L-NUCLEOSIDES PHARMASSET LIMITED (US) 2001-05-17 WO disclosed