SCHEMBL29264302

SCHEMBL29264302

CCC(=O)NCc1cccc(OC)c1NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 3/20 0.45
MTNR1A P48039 2/20 0.45
HPGD P15428 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.43
CYP2D6 P10635 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL19701769 0.86 NLRP3 (0.46) RAB9AKMT2AMEN1GAAALDH1A1
SCHEMBL29264301 0.85 NQO2 (0.42) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL29991677 0.80 ATR (0.47) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL28829529 0.80 CYP3A4 (0.41) MTNR1BMTNR1AKMT2AMEN1GAA
SCHEMBL729159 0.77 ATR (0.42) MTNR1BMTNR1AGAAALDH1A1
SCHEMBL14670856 0.76 HPGD (0.70) HPGDNPC1RAB9AKMT2AHTT
SCHEMBL3417084 0.75 HPGD (0.60) HPGDNPC1RAB9AKMT2AHTT
SCHEMBL27484947 0.75 ALDH1A1 (0.44) HPGDKMT2AMEN1GAAALDH1A1
SCHEMBL20514222 0.75 PKM (0.50)
SCHEMBL10437433 0.74 NLRP3 (0.56) HTTNPSR1CYP2D6ALDH1A1

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-118271200-A Industrial preparation method and application of lacosamide 北京澳合药物研究院有限公司 2024-07-02 CN disclosed