SCHEMBL31107122

SCHEMBL31107122

O=C(OCc1ccccc1)N1CCc2c(ccc(Br)c2F)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 7/20 0.53
SIGMAR1 Q99720 7/20 0.53
PTGDR2 Q9Y5Y4 12/20 0.52
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL25409148 1.00 TMEM97 (0.53) TMEM97SIGMAR1PTGDR2MEN1ALDH1A1
SCHEMBL31107140 0.86 TMEM97 (0.53) TMEM97SIGMAR1PTGDR2
SCHEMBL25411807 0.86 TMEM97 (0.53) TMEM97SIGMAR1PTGDR2
SCHEMBL29554819 0.85 TMEM97 (0.58) TMEM97SIGMAR1PTGDR2MEN1ALDH1A1
SCHEMBL30031492 0.83 PTGDR2 (0.63) PTGDR2
SCHEMBL15056760 0.83 PTGDR2 (0.66) PTGDR2
SCHEMBL15056959 0.83 PTGDR2 (0.63) PTGDR2
SCHEMBL25414367 0.83 TMEM97 (0.52) TMEM97SIGMAR1PTGDR2
SCHEMBL28097001 0.82 PTGDR2 (0.60) TMEM97SIGMAR1PTGDR2
SCHEMBL25412628 0.80 TMEM97 (0.49) TMEM97SIGMAR1PTGDR2

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-118678949-A Novel B0AT1 inhibitors 田边三菱制药株式会社 2024-09-20 CN disclosed