SCHEMBL28946003

SCHEMBL28946003

c1ccc(C2CCCCCCCC(c3cccc4c3Cc3ccccc3-4)CCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
SLC18A3 Q16572 2/20 0.39
PNMT P11086 1/20 0.39
KMO O15229 1/20 0.37
DRD2 P14416 1/20 0.36
HTR6 P50406 1/20 0.36
PTGS2 P35354 1/20 0.36
GRIN2B Q13224 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
CYP11B2 P19099 1/20 0.34
TRPA1 O75762 1/20 0.34

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
SCHEMBL6524402 0.91 PNMT (0.45) HTR1AHTR7PNMTDRD2HTR6
SCHEMBL28945985 0.91 PNMT (0.45) HTR1AHTR7PNMTDRD2HTR6
SCHEMBL29254149 0.76 PNMT (0.46) HTR7PNMTDRD2NPC1RAB9A
SCHEMBL6906970 0.75 HTR1A (0.46) HTR1AHTR7DRD2HTR6PTGS2
SCHEMBL28649451 0.73 HTR7 (0.38) HTR1AHTR7PNMTDRD2NPC1
SCHEMBL7717438 0.73 PTPN5 (0.44) HTR1AHTR7PNMTPTGS2NPC1
SCHEMBL11562787 0.72 SLC18A3 (0.63) SLC18A3KMOSIGMAR1CYP11B2TRPA1
SCHEMBL19198566 0.72 SLC18A3 (0.63) SLC18A3KMOSIGMAR1CYP11B2TRPA1
SCHEMBL19262690 0.72 SLC18A3 (0.63) SLC18A3KMOSIGMAR1CYP11B2TRPA1
SCHEMBL790829 0.72 SLC18A3 (0.63) SLC18A3KMOSIGMAR1CYP11B2TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115636889-B Preparation method of LDPE resin for film product 中国石油天然气股份有限公司 2024-03-01 CN claimed
CN-115636994-B Low-density polyethylene resin composition for film 中国石油天然气股份有限公司 2024-03-01 CN claimed
CN-115636994-A Low-density polyethylene resin composition for film 中国石油天然气股份有限公司 2023-01-24 CN claimed
CN-115636889-A Preparation method of LDPE resin for film product 中国石油天然气股份有限公司 2023-01-24 CN claimed
CN-115636994-B Low-density polyethylene resin composition for film 中国石油天然气股份有限公司 2024-03-01 CN disclosed
CN-115636889-B Preparation method of LDPE resin for film product 中国石油天然气股份有限公司 2024-03-01 CN disclosed
CN-115636994-A Low-density polyethylene resin composition for film 中国石油天然气股份有限公司 2023-01-24 CN disclosed
CN-115636889-A Preparation method of LDPE resin for film product 中国石油天然气股份有限公司 2023-01-24 CN disclosed