Heptane

Heptane

SCHEMBL28938682

CCCCCCC.CCc1ccccc1CC

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.54
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
GABRA1 P14867 2/20 0.46
GABRB2 P47870 2/20 0.46
TSHR P16473 2/20 0.45
EPHX2 P34913 1/20 0.45
PKM P14618 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
THRB P10828 1/20 0.44
BID P55957 3/20 0.44
MCL1 Q07820 3/20 0.44
BCL2L1 Q07817 2/20 0.44
BAK1 Q16611 2/20 0.44
POLB P06746 1/20 0.44
KAT8 Q9H7Z6 1/20 0.44

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
SCHEMBL27564782 0.91 LIPG (0.62) LIPGNR1H2NR1H3THRBBID
SCHEMBL5737140 0.91 LIPG (0.62) LIPGNR1H2NR1H3THRBBID
SCHEMBL10601540 0.91 LIPG (0.62) LIPGNR1H2NR1H3THRBBID
SCHEMBL6682171 0.91 LIPG (0.62) LIPGNR1H2NR1H3THRBBID
SCHEMBL10863585 0.91 LIPG (0.62) LIPGNR1H2NR1H3THRBBID
SCHEMBL8509012 0.91 LIPG (0.62) LIPGNR1H2NR1H3THRBBID
SCHEMBL9697706 0.91 LIPG (0.62) LIPGNR1H2NR1H3THRBBID
SCHEMBL6686137 0.91 LIPG (0.62) LIPGNR1H2NR1H3THRBBID
SCHEMBL6065358 0.91 LIPG (0.62) LIPGNR1H2NR1H3THRBBID
SCHEMBL1372464 0.87 LIPG (0.59) LIPGNR1H2NR1H3THRBBID

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
CN-114269432-A As P2X3Aminoquinazoline derivatives as inhibitors 奇斯药制品公司 2022-04-01 CN disclosed