SCHEMBL29133579

SCHEMBL29133579

CCN(CC)C(=O)c1ccc(CO)nc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.51
HPGD P15428 8/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPT P10636 2/20 0.47
MLYCD O95822 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 4/20 0.45
HSP90AA1 P07900 5/20 0.45
HSP90AB1 P08238 5/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.42
BLM P54132 1/20 0.42
RECQL P46063 1/20 0.41

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
SCHEMBL12844304 0.88 GRM5 (0.52) GRM5HPGDALDH1A1MAPTMLYCD
SCHEMBL29024751 0.85 HCAR3 (0.41) GRM5HPGDMAPTTDP1NPC1
SCHEMBL5437061 0.81 GRM5 (0.47) GRM5HPGDALDH1A1MAPTMLYCD
SCHEMBL5434700 0.80 RARB (0.47) GRM5HPGDALDH1A1MAPTLMNA
SCHEMBL5430899 0.80 HCAR3 (0.54) GRM5HPGDALDH1A1MAPTMLYCD
SCHEMBL5429605 0.79 GRM5 (0.54) GRM5HPGDALDH1A1MAPTMLYCD
SCHEMBL998975 0.79 GRM5 (0.54) GRM5HPGDALDH1A1MAPTMLYCD
SCHEMBL2749675 0.78 KCNJ1 (0.45) HPGDMAPTLMNANPC1RAB9A
SCHEMBL31098145 0.78 KCNJ1 (0.45) HPGDMAPTLMNANPC1RAB9A
SCHEMBL5428631 0.78 RAB9A (0.49) GRM5HPGDALDH1A1MAPTMLYCD

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-117337289-A Tetracyclic compounds for the treatment of brain disorders 加利福尼亚大学董事会 2024-01-02 CN disclosed