SCHEMBL31276535

SCHEMBL31276535

O=C(OCc1ccccc1)N1Cc2cc3[nH]c(=O)[nH]c3cc2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 12/20 0.56
▸ SIGMAR1 Q99720 12/20 0.56
▸ HRH1 P35367 4/20 0.56
▸ HRH3 Q9Y5N1 4/20 0.56
▸ HRH2 P25021 3/20 0.56
▸ HTR1A P08908 2/20 0.56
▸ ADRA2C P18825 2/20 0.56
▸ ADRA2A P08913 1/20 0.56
▸ ADRA2B P18089 1/20 0.56
▸ DRD1 P21728 1/20 0.56
▸ HTR1B P28222 1/20 0.56
▸ HTR2A P28223 1/20 0.56
▸ HTR2C P28335 1/20 0.56
▸ HTR1E P28566 1/20 0.56
▸ SLC6A4 P31645 1/20 0.56
▸ HTR2B P41595 1/20 0.56
▸ ADRB1 P08588 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49

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
SCHEMBL31276389 0.82 TMEM97 (0.54) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL324086 0.81 TMEM97 (0.64) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL31276469 0.81 TMEM97 (0.60) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL21800344 0.80 TMEM97 (0.66) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL1488412 0.78 KMT2A (0.60) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL1017246 0.77 TMEM97 (0.63) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL31129893 0.77 TMEM97 (0.63) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL1506610 0.77 TMEM97 (0.63) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL1027341 0.77 TMEM97 (0.63) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL29469365 0.77 TMEM97 (0.63) TMEM97SIGMAR1HRH1HRH3HRH2

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
WO-2024259303-A1 COMPOUNDS AND COMPOSITIONS AS CEREBLON LIGANDS AND USES THEREOF ONCOPIA THERAPEUTICS, INC. D/B/A SK LIFE SCIENCE LABS (US) 2024-12-19 — — WO disclosed
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