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SCHEMBL28817372

SCHEMBL28817372

c1ccc2c(C3(c4ccc(-c5cccc6c7ccccc7c7ccccc7c56)c5ccccc45)CCCCO3)ccc(-c3cccc4c5ccccc5c5ccccc5c34)c2c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 2/20 0.37
▸ HTR2B P41595 2/20 0.37
▸ CRHBP P24387 1/20 0.30
▸ CRHR2 Q13324 1/20 0.30
▸ KEAP1 Q14145 1/20 0.30
▸ NFE2L2 Q16236 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ SLC6A3 Q01959 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
SCHEMBL28002979 0.87 HTR7 (0.38) HTR7HTR2BSLC6A4SLC6A3
SCHEMBL28002986 0.81 HTR7 (0.36) HTR7HTR2BSLC6A4SLC6A3
SCHEMBL28817374 0.81 ALDH1A1 (0.36) HTR7HTR2BSLC6A4SLC6A3
SCHEMBL28002993 0.76 HTR7 (0.36) HTR7HTR2BSLC6A4SLC6A3
SCHEMBL28002982 0.72 SLC6A4 (0.35) HTR7HTR2BSLC6A4SLC6A3
SCHEMBL10453624 0.70 SLC6A3 (0.46) HTR7HTR2BSLC6A4SLC6A3
SCHEMBL27993661 0.68 HTR7 (0.37) HTR7HTR2BSLC6A4SLC6A3
SCHEMBL28002995 0.68 ALDH1A1 (0.34) HTR7HTR2BSLC6A4SLC6A3
SCHEMBL14087464 0.67 HTR7 (0.51) HTR7HTR2B
SCHEMBL30241384 0.66 ALDH1A1 (0.55) CRHBPCRHR2KEAP1NFE2L2

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-104292207-A 2,5-difused-ring-substituted naphthyl oxane derivative and preparation method thereof SHANDONG SHENGHUA ELECTRONIC NEW MATERIAL CO LTD 2015-01-21 — — CN disclosed