SCHEMBL24445576

SCHEMBL24445576

Cn1cc(CC(CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)O)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.64
▸ CTSS P25774 1/20 0.64
▸ CTSK P43235 1/20 0.64
▸ MAPT P10636 2/20 0.55
▸ TP53 P04637 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ ACE P12821 1/20 0.53
▸ TACR1 P25103 2/20 0.51
▸ NMBR P28336 1/20 0.51
▸ BCHE P06276 1/20 0.51
▸ ACHE P22303 1/20 0.51
▸ CCKBR P32239 3/20 0.50
▸ IDO1 P14902 2/20 0.50
▸ SSTR3 P32745 1/20 0.49

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
SCHEMBL24445573 0.92 IDO1 (0.56) CTSLCTSSCTSKIDO1
SCHEMBL24445467 0.92 CTSL (0.59) CTSLCTSSCTSKMAPTTP53
SCHEMBL24445577 0.89 CTSL (0.64) CTSLCTSSCTSKMAPTTP53
SCHEMBL18396309 0.89 CTSL (0.64) CTSLCTSSCTSKMAPTTP53
SCHEMBL23677892 0.89 CTSL (0.64) CTSLCTSSCTSKMAPTTP53
SCHEMBL18395822 0.89 CTSL (0.64) CTSLCTSSCTSKMAPTTP53
SCHEMBL18395829 0.84 TACR1 (0.61) CTSLCTSSCTSKMAPTTP53
SCHEMBL18396335 0.84 TACR1 (0.61) CTSLCTSSCTSKMAPTTP53
SCHEMBL23677934 0.84 TACR1 (0.61) CTSLCTSSCTSKMAPTTP53
SCHEMBL18407257 0.80 IDO1 (0.61) CTSLCTSSCTSKIDO1

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