SCHEMBL23677934

SCHEMBL23677934

CCOC(=O)C(Cc1cn(C)c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.61
▸ CTSL P07711 5/20 0.59
▸ CTSS P25774 1/20 0.59
▸ CTSK P43235 1/20 0.59
▸ MAPT P10636 2/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ SCN9A Q15858 1/20 0.57
▸ TP53 P04637 1/20 0.56
▸ CCKBR P32239 5/20 0.51
▸ REN P00797 1/20 0.51
▸ ACE P12821 1/20 0.50

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
SCHEMBL18395829 1.00 TACR1 (0.61) TACR1CTSLCTSSCTSKMAPT
SCHEMBL18396335 1.00 TACR1 (0.61) TACR1CTSLCTSSCTSKMAPT
SCHEMBL18395551 0.91 IDO1 (0.54) TACR1CTSLCTSSCTSKMAPT
SCHEMBL18395822 0.91 CTSL (0.64) TACR1CTSLCTSSCTSKMAPT
SCHEMBL23677892 0.91 CTSL (0.64) TACR1CTSLCTSSCTSKMAPT
SCHEMBL24445577 0.91 CTSL (0.64) TACR1CTSLCTSSCTSKMAPT
SCHEMBL18396309 0.91 CTSL (0.64) TACR1CTSLCTSSCTSKMAPT
SCHEMBL24445467 0.90 CTSL (0.59) TACR1CTSLCTSSCTSKMAPT
SCHEMBL23677827 0.87 IDO1 (0.51) TACR1CTSLCTSSCTSKSCN9A
SCHEMBL18407265 0.87 IDO1 (0.51) TACR1CTSLCTSSCTSKSCN9A

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
EP-3613420-B1 SALTS AND PRODRUGS OF 1-METHYL-D-TRYPTOPHAN LUMOS PHARMA INC (US) 2022-05-25 — — EP disclosed
EP-3324958-B1 SALTS AND PRODRUGS OF 1-METHYL-D-TRYPTOPHAN LUMOS PHARMA INC (US) 2021-07-28 — — EP disclosed
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