SCHEMBL29249307

SCHEMBL29249307

COc1[c]ccc(N2CCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.42
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
CHKA P35790 1/20 0.38
MAPT P10636 3/20 0.38
ALOX15 P16050 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TERT O14746 2/20 0.37
ADRB1 P08588 2/20 0.37
TSHR P16473 1/20 0.36
S100B P04271 2/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL3143426 0.98 ALDH1A1 (0.45) ALDH1A1LMNACHRNB2CHRNA4CHKA
SCHEMBL3140130 0.96 ALDH1A1 (0.44) ALDH1A1LMNACHRNB2CHRNA4CHKA
SCHEMBL4165953 0.86 ADRA2C (0.45) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL2388341 0.85 ADRB1 (0.56) CHRNB2CHRNA4ADRB1HTT
SCHEMBL3140169 0.85 TGFBR1 (0.43) ALDH1A1LMNAMAPTALOX15L3MBTL1
SCHEMBL12466365 0.84 L3MBTL3 (0.56) L3MBTL1TSHR
SCHEMBL16993793 0.82 CHRNA7 (0.47) ALDH1A1LMNAMAPTGAA
SCHEMBL12466108 0.81 SUV39H2 (0.41)
SCHEMBL3139272 0.80 ACVR1B (0.46) ALDH1A1LMNAMAPTHSD17B10TSHR
SCHEMBL12466624 0.79 DRD2 (0.45) MEN1KMT2AHSD17B10

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-115297861-B Compounds and uses thereof 福宏治疗公司 2024-07-12 CN claimed