SCHEMBL31033294

SCHEMBL31033294

Cc1oc2c(Oc3ccc4c(c3)OCC4)cccc2c1N(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.35
PDGFRA P16234 1/20 0.35
KDR P35968 1/20 0.35
PPARG P37231 4/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
SLC6A4 P31645 1/20 0.32
MAOB P27338 1/20 0.31
GRM5 P41594 1/20 0.31
NPBWR1 P48145 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
DRD3 P35462 1/20 0.31
CSF1R P07333 1/20 0.31
PPARA Q07869 1/20 0.30

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
SCHEMBL31033315 0.83 ALDH1A1 (0.40) MAOBDRD2
SCHEMBL24923475 0.81 PPARG (0.32) EGFRPDGFRAKDRPPARGMTNR1A
SCHEMBL21963723 0.80 HTR2A (0.37) PPARGMTNR1AMTNR1BSLC6A4MAOB
SCHEMBL21963920 0.79 KCNH2 (0.39)
SCHEMBL21963718 0.77 TEAD1 (0.36) PPARGMTNR1AMTNR1BPPARA
SCHEMBL31033272 0.77 MAOA (0.40) MTNR1B
SCHEMBL24923422 0.65 NPC1 (0.35) MAOBDRD2
SCHEMBL21964003 0.64 MEN1 (0.39)
SCHEMBL10371800 0.64 DRD2 (0.55) DRD2DRD1DRD4DRD5DRD3
SCHEMBL22010743 0.63 DRD2 (0.39) SLC6A4MAOBDRD2

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-113272302-B Antibiotic compound, method for producing same, pharmaceutical composition containing same, and use thereof 德彪药业国际股份公司 2024-08-13 CN disclosed