SCHEMBL7616252

SCHEMBL7616252

CCCCCCCc1n[c]c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
GPR84 Q9NQS5 5/20 0.39
KCNH2 Q12809 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
SCHEMBL11470650 1.00 ALDH1A1 (0.42) ALDH1A1PKMHPGDGPR84KCNH2
SCHEMBL449372 1.00 ALDH1A1 (0.42) ALDH1A1PKMHPGDGPR84KCNH2
SCHEMBL7614190 0.79 HRH3 (0.31)
SCHEMBL7618344 0.78 HRH4 (0.45) ALDH1A1KCNH2
SCHEMBL7625860 0.77 CNR1 (0.43) ALDH1A1HPGD
SCHEMBL7622787 0.77 HRH3 (0.33)
SCHEMBL7614088 0.77 TBXAS1 (0.61)
SCHEMBL7621773 0.77 TBXAS1 (0.61)
SCHEMBL7625592 0.77 TBXAS1 (0.45)
SCHEMBL7616317 0.76 HRH3 (0.33)

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