SCHEMBL29786255

SCHEMBL29786255

NC(=O)[C@H]1C[C@@H]2C[C@@H]2N1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
CYP2C19 P33261 1/20 0.52
HTR2C P28335 1/20 0.50
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
CTRB1 P17538 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.42
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNA1I Q9P0X4 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
SCHEMBL28765277 1.00 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C19HTR2CPSEN1PSEN2
SCHEMBL29786253 1.00 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C19HTR2CPSEN1PSEN2
SCHEMBL29786254 1.00 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C19HTR2CPSEN1PSEN2
SCHEMBL20791067 0.89 HTR2C (0.52) SMN1; SMN2CYP2C19HTR2CPSEN1PSEN2
SCHEMBL26397763 0.89 HTR2C (0.52) SMN1; SMN2CYP2C19HTR2CPSEN1PSEN2
SCHEMBL7345709 0.89 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C19HTR2CPSEN1PSEN2
SCHEMBL28453965 0.84 HTR2C (0.50) SMN1; SMN2CYP2C19HTR2CPSEN1PSEN2
SCHEMBL26397760 0.84 HTR2C (0.50) SMN1; SMN2CYP2C19HTR2CPSEN1PSEN2
SCHEMBL19042 0.78 ACE (0.53) SMN1; SMN2CYP2C19HTR2CNPC1RAB9A
SCHEMBL7339038 0.78 ACE (0.53) SMN1; SMN2CYP2C19HTR2CNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110339079-B Composition comprising amide derivatives and use thereof in cosmetics 广州双慧化妆品有限公司 2022-05-24 CN claimed
CN-110339079-B Composition comprising amide derivatives and use thereof in cosmetics 广州双慧化妆品有限公司 2022-05-24 CN disclosed