SCHEMBL30643024

SCHEMBL30643024

CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.65
▸ CTSS P25774 1/20 0.65
▸ CTSK P43235 1/20 0.65
▸ ACE P12821 4/20 0.61
▸ MAPT P10636 2/20 0.59
▸ TP53 P04637 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ CCKBR P32239 5/20 0.56
▸ CCKAR P32238 1/20 0.56
▸ SCN9A Q15858 1/20 0.56
▸ TACR1 P25103 2/20 0.56
▸ SSTR3 P32745 1/20 0.56

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
SCHEMBL27871524 0.91 CTSL (0.76) CTSLCTSSCTSKACEMAPT
SCHEMBL27902245 0.91 CTSL (0.76) CTSLCTSSCTSKACEMAPT
SCHEMBL30638855 0.87 ACE (0.78) CTSLCTSSCTSKACEMAPT
SCHEMBL27885189 0.87 ACE (0.78) CTSLCTSSCTSKACEMAPT
SCHEMBL27885190 0.87 ACE (0.78) CTSLCTSSCTSKACEMAPT
SCHEMBL31484559 0.87 ACE (0.78) CTSLCTSSCTSKACEMAPT
SCHEMBL3825352 0.87 ACE (0.78) CTSLCTSSCTSKACEMAPT
SCHEMBL11228028 0.87 TACR1 (0.56) CTSLCTSSCTSKMAPTTP53
SCHEMBL11228026 0.87 TACR1 (0.56) CTSLCTSSCTSKMAPTTP53
SCHEMBL1003555 0.87 ACE (0.77) CTSLCTSSCTSKACEMAPT

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-117285591-B 2-Trp-AA-tetrahydrocarboline-3-carboxylic acid compound capable of selectively inhibiting ADP and preparation and application thereof 首都医科大学 2024-12-20 — — CN disclosed
CN-117285591-A 2-Trp-AA-tetrahydrocarboline-3-carboxylic acid compound capable of selectively inhibiting ADP and preparation and application thereof 首都医科大学 2023-12-26 — — CN disclosed
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