SCHEMBL28404852

SCHEMBL28404852

CC(C)(C)NC(=O)O[C@@H](CCC(N)=O)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 6/20 0.45
▸ CTSL P07711 3/20 0.44
▸ CTSB P07858 3/20 0.44
▸ SCN9A Q15858 1/20 0.44
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ MME P08473 1/20 0.37
▸ ECE1 P42892 1/20 0.37
▸ ACE P12821 1/20 0.37
▸ REN P00797 1/20 0.36
▸ TACR3 P29371 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ PRSS1 P07477 1/20 0.36
▸ CTSG P08311 1/20 0.36
▸ CTRB1 P17538 1/20 0.36
▸ CMA1 P23946 1/20 0.36
▸ CTSH P09668 1/20 0.36

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
SCHEMBL29060746 0.85 CTSK (0.47) CTSKCTSLCTSBSCN9ANPC1
SCHEMBL27812309 0.84 CTSK (0.48) CTSKCTSLCTSBSCN9ANPC1
SCHEMBL15311168 0.82 CTSK (0.49) CTSKCTSLCTSBSCN9ANPC1
SCHEMBL14716956 0.82 CTSK (0.49) CTSKCTSLCTSBSCN9ANPC1
SCHEMBL27794800 0.82 CTSK (0.49) CTSKCTSLCTSBSCN9ANPC1
SCHEMBL28406317 0.81 CTSK (0.44) CTSKCTSLCTSBSCN9ANPC1
SCHEMBL28404682 0.80 CTSK (0.43) CTSKCTSLCTSBSCN9ANPC1
SCHEMBL28520879 0.79 CTSK (0.52) CTSKCTSLCTSBSCN9ANPC1
SCHEMBL28020483 0.75 SCN9A (0.45) CTSKCTSLCTSBSCN9ANPC1
SCHEMBL28434896 0.75 CTSK (0.43) CTSKCTSLCTSBSCN9ANPC1

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-111094238-B Carbamoyl phenylalaninol analogues and uses thereof 杰资制药爱尔兰有限公司 2023-06-09 — — CN disclosed
CN-111094238-A Carbamoyl phenylalaninol analogs and uses thereof 杰资制药爱尔兰有限公司 2020-05-01 — — CN disclosed
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