SCHEMBL26089134

SCHEMBL26089134

CC(C)CC(=O)N1CCN(C(=O)CCN2CCCC2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
KMT2A Q03164 5/20 0.44
GAA P10253 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
GFER P55789 1/20 0.43
TSHR P16473 2/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 2/20 0.42
NOTUM Q6P988 1/20 0.41
MAPT P10636 3/20 0.41
THRB P10828 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL30379233 1.00 ALDH1A1 (0.44) ALDH1A1KMT2AGAADRD2DRD4
SCHEMBL26092070 0.91 DRD2 (0.48) ALDH1A1KMT2ADRD2DRD4TSHR
SCHEMBL30378398 0.91 DRD2 (0.48) ALDH1A1KMT2ADRD2DRD4TSHR
SCHEMBL30910043 0.86 ALDH1A1 (0.45) ALDH1A1KMT2ADRD2DRD4GFER
SCHEMBL26090549 0.86 ALDH1A1 (0.45) ALDH1A1KMT2ADRD2DRD4GFER
SCHEMBL30379221 0.85 ALDH1A1 (0.43) ALDH1A1KMT2ADRD2DRD4GFER
SCHEMBL26089229 0.85 ALDH1A1 (0.43) ALDH1A1KMT2ADRD2DRD4GFER
SCHEMBL26088422 0.84 ALDH1A1 (0.46) ALDH1A1KMT2ADRD2DRD4GFER
SCHEMBL30910089 0.84 ALDH1A1 (0.46) ALDH1A1KMT2ADRD2DRD4GFER
SCHEMBL30378901 0.81 ALDH1A1 (0.44) ALDH1A1KMT2ADRD2DRD4GFER

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023068755-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 사피엔스바이오 2023-04-27 WO claimed
CN-118119612-A Novel compounds and pharmaceutical compositions comprising the same 萨皮恩斯生物有限公司 2024-05-31 CN disclosed
WO-2023068755-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 사피엔스바이오 2023-04-27 WO disclosed