SCHEMBL31140220

SCHEMBL31140220

C[C@@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCC(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.53
▸ NPBWR1 P48145 5/20 0.52
▸ CTSL P07711 3/20 0.51
▸ CTSS P25774 3/20 0.51
▸ CTSK P43235 3/20 0.51
▸ GLP1R P43220 3/20 0.50
▸ MC4R P32245 2/20 0.50
▸ CTSH P09668 1/20 0.50
▸ IL23R Q5VWK5 2/20 0.50
▸ TUBB4A P04350 1/20 0.48
▸ TUBB P07437 1/20 0.48
▸ TUBA3C P0DPH7 1/20 0.48
▸ TUBA1B P68363 1/20 0.48
▸ TUBA4A P68366 1/20 0.48
▸ TUBB4B P68371 1/20 0.48
▸ TUBB3 Q13509 1/20 0.48
▸ TUBB2A Q13885 1/20 0.48
▸ TUBB8 Q3ZCM7 1/20 0.48
▸ TUBA3E Q6PEY2 1/20 0.48
▸ TUBA1A Q71U36 1/20 0.48

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
SCHEMBL29531021 0.95 TUBB4A (0.51) C5AR1CTSLCTSSCTSKMC4R
SCHEMBL31620051 0.95 TUBB4A (0.51) C5AR1CTSLCTSSCTSKMC4R
SCHEMBL29476495 0.95 TUBB4A (0.51) C5AR1CTSLCTSSCTSKMC4R
SCHEMBL30510423 0.94 TUBB4A (0.52) C5AR1CTSLCTSSCTSKMC4R
SCHEMBL29476494 0.94 TUBB4A (0.52) C5AR1CTSLCTSSCTSKMC4R
SCHEMBL29511100 0.93 C5AR1 (0.51) C5AR1NPBWR1CTSLCTSSCTSK
SCHEMBL30264983 0.93 C5AR1 (0.51) C5AR1NPBWR1CTSLCTSSCTSK
SCHEMBL30264997 0.93 C5AR1 (0.51) C5AR1NPBWR1CTSLCTSSCTSK
SCHEMBL30264893 0.93 C5AR1 (0.51) C5AR1NPBWR1CTSLCTSSCTSK
SCHEMBL29476679 0.92 CTSL (0.48) C5AR1NPBWR1CTSLCTSSCTSK

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-119119190-A Melanocortin receptor ligands 益普生制药股份有限公司 2024-12-13 — — CN disclosed
CN-105837661-B Melanocortin receptor ligands 益普生制药股份有限公司 2024-10-15 — — CN disclosed
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