SCHEMBL29568782

SCHEMBL29568782

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 4/20 0.46
▸ C5AR1 P21730 1/20 0.44
▸ CTSL P07711 3/20 0.43
▸ CTSS P25774 3/20 0.43
▸ CTSK P43235 3/20 0.43
▸ CTSH P09668 1/20 0.43
▸ PLK1 P53350 1/20 0.40
▸ CXCR4 P61073 1/20 0.39
▸ RAMP3 O60896 1/20 0.38
▸ CALCR P30988 1/20 0.38

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
SCHEMBL29568599 0.95 APLNR (0.50) APLNRC5AR1CTSLCTSSCTSK
SCHEMBL29568777 0.95 APLNR (0.51) APLNRC5AR1CTSLCTSSCTSK
SCHEMBL29569350 0.94 APLNR (0.41) APLNRC5AR1CTSLCTSSCTSK
SCHEMBL29568564 0.92 APLNR (0.54) APLNRC5AR1
SCHEMBL29569072 0.92 APLNR (0.54) APLNRC5AR1
SCHEMBL31683844 0.90 APLNR (0.46) APLNRC5AR1CTSLCTSSCTSK
SCHEMBL29569355 0.89 C5AR1 (0.55) APLNRC5AR1PLK1
SCHEMBL29568606 0.89 APLNR (0.53) APLNRC5AR1CXCR4
SCHEMBL29568884 0.89 C5AR1 (0.54) APLNRC5AR1PLK1
SCHEMBL29630628 0.87 APLNR (0.49) APLNRC5AR1CTSLCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3320923-B1 FLUORESCENT IMAGING AGENTS VISEN MEDICAL INC (US) 2022-04-06 — — EP disclosed
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