SCHEMBL29150759

SCHEMBL29150759

Clc1cc2c(c([C@@H]3CCCN3)c1)CCCO2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAP3K14 Q99558 1/20 0.33
CHRM5 P08912 5/20 0.32
CHRM3 P20309 5/20 0.32
CHRM2 P08172 5/20 0.32
CHRM1 P11229 4/20 0.32
CHRM4 P08173 4/20 0.32
PDCD1LG2 Q9BQ51 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL29150761 1.00 L3MBTL1 (0.46) L3MBTL1MEN1KMT2AMAP3K14CHRM5
SCHEMBL16309083 0.83 L3MBTL1 (0.46) L3MBTL1MEN1KMT2ACHRM5CHRM3
SCHEMBL25302799 0.74 L3MBTL1 (0.33) L3MBTL1MEN1KMT2ACHRM5CHRM3
SCHEMBL25302800 0.74 L3MBTL1 (0.33) L3MBTL1MEN1KMT2ACHRM5CHRM3
SCHEMBL25257547 0.72 MEN1 (0.35) L3MBTL1MEN1KMT2ACHRM5CHRM3
SCHEMBL25296356 0.72 MEN1 (0.35) L3MBTL1MEN1KMT2ACHRM5CHRM3
SCHEMBL30068597 0.70 PNMT (0.43) MEN1KMT2A
SCHEMBL30491425 0.69 MEN1 (0.33) MEN1KMT2APDCD1LG2CD274
SCHEMBL29150604 0.67 HSD11B1 (0.37) MAP3K14
Ammonia Solution, Strong SCHEMBL29150807 0.66 SMN1; SMN2 (0.34) MAP3K14

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-116981661-A Condensed ring substituted six-membered heterocyclic compound, preparation method and application thereof 劲方医药科技(上海)有限公司 2023-10-31 CN disclosed