SCHEMBL29513768

SCHEMBL29513768

N=C(N)NCCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.62
▸ CTSS P25774 3/20 0.62
▸ CTSK P43235 3/20 0.62
▸ CTSH P09668 1/20 0.62
▸ C5AR1 P21730 2/20 0.60
▸ KISS1R Q969F8 1/20 0.54
▸ CXCR4 P61073 3/20 0.53
▸ IL23R Q5VWK5 1/20 0.52
▸ TACR1 P25103 1/20 0.52
▸ MC4R P32245 2/20 0.51
▸ NMBR P28336 2/20 0.50
▸ GRPR P30550 2/20 0.50
▸ TUBB4A P04350 1/20 0.50
▸ TUBB P07437 1/20 0.50
▸ TUBA3C P0DPH7 1/20 0.50
▸ TUBA1B P68363 1/20 0.50
▸ TUBA4A P68366 1/20 0.50
▸ TUBB4B P68371 1/20 0.50
▸ TUBB3 Q13509 1/20 0.50
▸ TUBB2A Q13885 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
SCHEMBL29387696 0.98 CTSL (0.64) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL29677323 0.93 CTSL (0.67) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30821694 0.92 CTSL (0.69) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30574265 0.89 C5AR1 (0.56) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL29754594 0.89 C5AR1 (0.70) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL31040596 0.88 CTSL (0.59) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL16455231 0.88 C5AR1 (0.68) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30183179 0.87 CTSL (0.58) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30297637 0.86 C5AR1 (0.57) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL31725194 0.86 CTSL (0.63) CTSLCTSSCTSKCTSHC5AR1

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-108474791-B Method for culturing cells, and kit and apparatus for use in the method 朱诺治疗学有限公司 2022-07-08 — — CN disclosed
CN-114207136-A Automated T cell culture 朱诺治疗学股份有限公司 2022-03-18 — — CN disclosed
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