SCHEMBL29531535

SCHEMBL29531535

CC(C)[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CO)NC(=O)[C@H](N)Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 3/20 0.54
▸ C5AR1 P21730 2/20 0.54
▸ PLK1 P53350 1/20 0.47
▸ CTSL P07711 3/20 0.47
▸ CTSS P25774 3/20 0.47
▸ CTSK P43235 3/20 0.47
▸ CTSH P09668 1/20 0.47
▸ EPHA2 P29317 2/20 0.47
▸ RAMP3 O60896 5/20 0.46
▸ CALCR P30988 5/20 0.46
▸ CXCR4 P61073 1/20 0.45

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
SCHEMBL30398324 0.90 APLNR (0.54) APLNRC5AR1PLK1CTSLCTSS
SCHEMBL29607506 0.88 APLNR (0.56) APLNRC5AR1PLK1CTSLCTSS
SCHEMBL30753783 0.88 CTSL (0.53) APLNRC5AR1CTSLCTSSCTSK
SCHEMBL29606819 0.88 APLNR (0.57) APLNRC5AR1PLK1CTSLCTSS
SCHEMBL29607035 0.88 APLNR (0.55) APLNRC5AR1PLK1CTSLCTSS
SCHEMBL29607754 0.87 APLNR (0.56) APLNRC5AR1PLK1CTSLCTSS
SCHEMBL9295105 0.87 C5AR1 (0.52) APLNRC5AR1PLK1CTSLCTSS
SCHEMBL30753782 0.86 APLNR (0.57) APLNRC5AR1PLK1EPHA2
SCHEMBL29608843 0.86 C5AR1 (0.58) APLNRC5AR1CXCR4
SCHEMBL29608840 0.86 C5AR1 (0.58) APLNRC5AR1CXCR4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230393140-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI INTERNATIONAL (US) 2023-12-07 — — US disclosed
EP-4229211-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI International (US) 2023-08-23 — — EP disclosed
WO-2022082006-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI INTERNATIONAL (US) 2022-04-21 — — WO disclosed
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