SCHEMBL24247571

SCHEMBL24247571

Cn1cc(C[C@@H](N)C(O)O)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.59
▸ HTR2A P28223 1/20 0.57
▸ IDO1 P14902 1/20 0.54
▸ CA2 P00918 1/20 0.49
▸ KEAP1 Q14145 1/20 0.49
▸ NFE2L2 Q16236 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.47
▸ HPGD P15428 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ RECQL P46063 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ LMNA P02545 1/20 0.44

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
SCHEMBL12113330 0.83 GPR84 (0.62) GPR84HTR2AIDO1CA2KEAP1
SCHEMBL8416936 0.83 GPR84 (0.62) GPR84HTR2AIDO1CA2KEAP1
SCHEMBL4601998 0.83 GPR84 (0.57) GPR84HTR2AIDO1CA2KEAP1
SCHEMBL1661389 0.83 GPR84 (0.57) GPR84HTR2AIDO1CA2KEAP1
SCHEMBL1661391 0.83 GPR84 (0.57) GPR84HTR2AIDO1CA2KEAP1
SCHEMBL16366297 0.81 GPR84 (0.59) GPR84HTR2AIDO1CA2KEAP1
SCHEMBL17306338 0.80 ALDH1A1 (0.56) GPR84HTR2AIDO1CA2KDM4E
SCHEMBL19846989 0.80 ALDH1A1 (0.56) GPR84HTR2AIDO1CA2KDM4E
SCHEMBL24445574 0.80 SCN9A (0.57) GPR84HTR2AIDO1CA2KDM4E
1-Methyltryptophan SCHEMBL14202956 0.80 MAPT (0.71) GPR84HTR2ACA2KDM4EHPGD

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
EP-3954369-A1 SALTS AND PRODRUGS OF 1-METHYL-D-TRYPTOPHAN Lumos Pharma, Inc. (US) 2022-02-16 — — EP disclosed
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