SCHEMBL29568430

SCHEMBL29568430

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 4/20 0.53
▸ C5AR1 P21730 1/20 0.52
▸ CTSL P07711 3/20 0.47
▸ CTSS P25774 3/20 0.47
▸ CTSK P43235 3/20 0.47
▸ CTSH P09668 1/20 0.46
▸ NMUR2 Q9GZQ4 1/20 0.45
▸ NMUR1 Q9HB89 1/20 0.45
▸ MC4R P32245 1/20 0.44

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
SCHEMBL29568564 0.95 APLNR (0.54) APLNRC5AR1
SCHEMBL29569072 0.95 APLNR (0.54) APLNRC5AR1
SCHEMBL29568599 0.93 APLNR (0.50) APLNRC5AR1CTSLCTSSCTSK
SCHEMBL29569494 0.92 APLNR (0.47) APLNRC5AR1NMUR2NMUR1
SCHEMBL29568606 0.92 APLNR (0.53) APLNRC5AR1
SCHEMBL29568777 0.92 APLNR (0.51) APLNRC5AR1CTSLCTSSCTSK
SCHEMBL29568401 0.90 C5AR1 (0.50) APLNRC5AR1CTSLCTSSCTSK
SCHEMBL29569083 0.90 C5AR1 (0.50) APLNRC5AR1CTSLCTSSCTSK
SCHEMBL29568782 0.89 APLNR (0.46) APLNRC5AR1CTSLCTSSCTSK
SCHEMBL29568884 0.89 C5AR1 (0.54) APLNRC5AR1MC4R

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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