SCHEMBL31258991

SCHEMBL31258991

CCCCOC(=O)[C@H](N)Cc1c[nH]c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.64
▸ MAPT P10636 3/20 0.62
▸ KDM4E B2RXH2 2/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ LMNA P02545 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ MPO P05164 1/20 0.62
▸ TSHR P16473 1/20 0.62
▸ BLM P54132 1/20 0.62
▸ PMP22 Q01453 1/20 0.62
▸ HIF1A Q16665 1/20 0.62
▸ SCN9A Q15858 1/20 0.55
▸ HTR2A P28223 2/20 0.54
▸ KCNA5 P22460 2/20 0.54
▸ ADRB1 P08588 1/20 0.53
▸ HTR1A P08908 1/20 0.53
▸ ADRA2A P08913 1/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ HTR1D P28221 1/20 0.53
▸ HTR1B P28222 1/20 0.53

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
SCHEMBL16007455 1.00 TACR1 (0.64) TACR1MAPTKDM4EMEN1LMNA
SCHEMBL30852356 1.00 TACR1 (0.64) TACR1MAPTKDM4EMEN1LMNA
SCHEMBL2123774 1.00 TACR1 (0.64) TACR1MAPTKDM4EMEN1LMNA
SCHEMBL1167928 1.00 TACR1 (0.64) TACR1MAPTKDM4EMEN1LMNA
Hydrochloric Acid SCHEMBL1167927 0.99 TACR1 (0.62) TACR1MAPTKDM4EMEN1LMNA
Hydrochloric Acid SCHEMBL18185314 0.99 TACR1 (0.62) TACR1MAPTKDM4EMEN1LMNA
Hydrochloric Acid SCHEMBL1167925 0.99 TACR1 (0.62) TACR1MAPTKDM4EMEN1LMNA
SCHEMBL6423830 0.96 TACR1 (0.62) TACR1MAPTKDM4EMEN1LMNA
SCHEMBL12966393 0.96 TACR1 (0.62) TACR1MAPTKDM4EMEN1LMNA
SCHEMBL6423829 0.96 TACR1 (0.62) TACR1MAPTKDM4EMEN1LMNA

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-2024243289-A2 GUT MICROBE DERIVED AROMATIC AMINO ACID METABOLITES FOR DETECTION AND TREATMENT OF DISEASE THE CLEVELAND CLINIC FOUNDATION (US) 2024-11-28 — — WO disclosed
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