SCHEMBL7620083

SCHEMBL7620083

[c]1cnc(Cc2ccccc2)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.50
CALM1 P0DP23 1/20 0.44
GAA P10253 1/20 0.43
DAO P14920 1/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
HPGDS O60760 1/20 0.40
KMT2A Q03164 1/20 0.40
AOC3 Q16853 1/20 0.39
MET P08581 1/20 0.39
BCL2 P10415 1/20 0.38
BCL2L1 Q07817 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL794787 0.69 TAAR1 (0.44) TAAR1CALM1GAADAONR1H2
SCHEMBL9243 0.67 TAAR1 (1.00) TAAR1CALM1GAAKMT2A
SCHEMBL9305710 0.67 HDAC3 (0.54) TAAR1CALM1GAADAONR1H2
Bromide SCHEMBL29135558 0.65 TAAR1 (0.96) TAAR1CALM1GAAKMT2A
SCHEMBL795316 0.65 NR1H2 (0.44) TAAR1CALM1GAADAONR1H2
SCHEMBL405100 0.65 TAAR1 (0.48) TAAR1CALM1GAADAONR1H2
SCHEMBL4494347 0.65 HPGDS (0.54) TAAR1CALM1GAADAONR1H2
SCHEMBL24317085 0.65 GAA (0.50) TAAR1CALM1GAADAONR1H2
SCHEMBL1504796 0.65 MTOR (0.43) GAANR1H2NR1H3HPGDSKMT2A
SCHEMBL2697397 0.65 CALM1 (0.48) TAAR1CALM1KMT2AAOC3BCL2

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