SCHEMBL30711684

SCHEMBL30711684

CCCCCCCC1(c2ccc(C(=O)c3ccccc3)cc2)CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.49
CNR1 P21554 3/20 0.49
LMNA P02545 2/20 0.44
CETP P11597 3/20 0.44
ALDH1A1 P00352 4/20 0.43
SLC6A4 P31645 3/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
NAAA Q02083 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD11B1 P28845 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL30711688 0.99 CNR2 (0.47) CNR2CNR1LMNACETPALDH1A1
SCHEMBL29992772 0.95 CNR2 (0.53) CNR2CNR1CETPSLC6A4SLC6A2
SCHEMBL30711692 0.93 CNR2 (0.51) CNR2CNR1CETPSLC6A4SLC6A2
SCHEMBL28326502 0.89 CNR2 (0.46) CNR2CNR1CETPPOLBHSD11B1
SCHEMBL5687199 0.88 CNR1 (0.52) CNR2CNR1ALDH1A1HSD11B1MEN1
SCHEMBL5684217 0.88 CNR1 (0.52) CNR2CNR1ALDH1A1HSD11B1MEN1
SCHEMBL28947368 0.88 CNR1 (0.52) CNR2CNR1ALDH1A1HSD11B1MEN1
SCHEMBL7607075 0.86 CNR1 (0.50) CNR2CNR1ALDH1A1HSD11B1MEN1
SCHEMBL10791912 0.85 CNR2 (0.52) CNR2CNR1CETPSLC6A4SLC6A2
SCHEMBL10590819 0.84 SLC6A4 (0.57) CNR2CNR1CETPSLC6A4SLC6A2

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-115109600-B Diamine compound and preparation method and application thereof 波米科技有限公司 2023-11-28 CN disclosed