SCHEMBL31455983

SCHEMBL31455983

CCOC(=O)Cc1cc(OC)c(Br)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
CA12 O43570 1/20 0.51
STING1 Q86WV6 2/20 0.49
HTR2A P28223 7/20 0.49
TAAR1 Q96RJ0 3/20 0.49
HTR2C P28335 1/20 0.49
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
CYP3A4 P08684 1/20 0.47
DPP4 P27487 2/20 0.47
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL27176786 0.87 CA1 (0.48) CA1CA2CA9CA12STING1
SCHEMBL9115953 0.85 HTR2A (0.54) HTR2ATAAR1HTR2CMTNR1AMTNR1B
SCHEMBL31456004 0.83 HMGCR (0.49) CA1CA2CA9CA12TAAR1
SCHEMBL14123786 0.80 HSD17B10 (0.56) CA1CA2CA9CA12HTR2A
SCHEMBL27002113 0.80 CYP3A4 (0.73) HTR2ATAAR1HTR2CMTNR1AMTNR1B
SCHEMBL15300735 0.80 ALDH1A1 (0.47) CA1CA2CA9CA12DPP4
SCHEMBL15270946 0.80 KDM4E (0.50) DPP4LMNAL3MBTL1ALDH1A1
SCHEMBL31026069 0.80 ALDH1A1 (0.47) CA1CA2CA9CA12DPP4
SCHEMBL31053274 0.80 KDM4E (0.50) DPP4LMNAL3MBTL1ALDH1A1
SCHEMBL31116543 0.79 DPP4 (0.48) CA1CA2CA9CA12MTNR1A

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-2025059373-A1 NOVEL PHENALKYLAMINES AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC DISORDERS GILGAMESH PHARMACEUTICALS, INC. (US) 2025-03-20 WO disclosed