SCHEMBL30744757

SCHEMBL30744757

O=C(O)c1cccc2c1CCNC2

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CD44 P16070 2/20 0.54
PRCP P42785 1/20 0.46
PNMT P11086 3/20 0.46
MAOB P27338 1/20 0.46
TRPA1 O75762 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
GFER P55789 1/20 0.39
TSHR P16473 1/20 0.38
SLC6A1 P30531 1/20 0.38
SLC6A13 Q9NSD5 1/20 0.38

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
SCHEMBL2329950 1.00 CD44 (0.54) CD44PRCPPNMTMAOBTRPA1
SCHEMBL5087669 0.88 PNMT (0.56) CD44PRCPPNMTMAOB
SCHEMBL29801575 0.88 PNMT (0.56) CD44PRCPPNMTMAOB
Hydrochloric Acid SCHEMBL17822916 0.86 PNMT (0.54) CD44PRCPPNMTMAOB
SCHEMBL17559798 0.86 PRCP (0.51) CD44PRCPPNMTMAOBTSHR
SCHEMBL27901033 0.85 CD44 (0.57) CD44PNMTMAOBTRPA1ALOX15
SCHEMBL30314450 0.85 CD44 (0.57) CD44PNMTMAOBTRPA1ALOX15
SCHEMBL1817879 0.84 ALDH1A1 (0.43) CD44PRCPPNMTTRPA1ALDH1A1
SCHEMBL29662964 0.84 ALDH1A1 (0.43) CD44PRCPPNMTTRPA1ALDH1A1
SCHEMBL2355554 0.81 CD44 (0.49) CD44PNMTMAOBTRPA1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN claimed
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN disclosed