SCHEMBL29763758

SCHEMBL29763758

c1ccc(-c2cccc(-c3ccccc3N3CCCC3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 5/20 0.54
▸ HTR1A P08908 3/20 0.54
▸ HTR2A P28223 1/20 0.54
▸ HTR5A P47898 1/20 0.54
▸ HTR6 P50406 1/20 0.54
▸ PTGS2 P35354 1/20 0.49
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ EGFR P00533 1/20 0.47
▸ RAF1 P04049 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ MAP2K1 Q02750 1/20 0.47
▸ FEN1 P39748 1/20 0.46
▸ DHFR P00374 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ KEAP1 Q14145 1/20 0.43
▸ SMYD2 Q9NRG4 1/20 0.41
▸ PRKDC P78527 3/20 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
SCHEMBL5352962 0.87 HTR7 (0.69) HTR7HTR1AHTR2AHTR5AHTR6
SCHEMBL13039956 0.85 HTR7 (0.67) HTR7HTR1AHTR2AHTR5AHTR6
SCHEMBL27876080 0.85 HTR7 (0.67) HTR7HTR1AHTR2AHTR5AHTR6
Hydrochloric Acid SCHEMBL27892728 0.83 HTR7 (0.65) HTR7HTR1AHTR2AHTR5AHTR6
SCHEMBL17857889 0.76 HTR1A (0.53) HTR7HTR1AL3MBTL1MAPK1ALDH1A1
SCHEMBL30146696 0.76 HTR7 (0.63) HTR7HTR1AHTR2AHTR5AHTR6
SCHEMBL27497441 0.73 HTR1A (0.70) HTR7HTR1AMAPK1ALDH1A1DHFR
SCHEMBL28281276 0.73 PTGS2 (0.54) HTR7HTR1AHTR2AHTR5AHTR6
SCHEMBL23708148 0.71 ALOX5 (0.52) L3MBTL1MAPK1ALDH1A1MAPTALOX12
SCHEMBL23708081 0.71 KDM4E (0.43) HTR7HTR1AL3MBTL1MAPK1ALDH1A1

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
EP-2854802-B2 TOPICAL OIL IN WATER EMULSION COMPOSITIONS COMPRISING A RETINOID GALDERMA RES & DEV (FR) 2022-08-24 — — EP disclosed
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