SCHEMBL29551839

SCHEMBL29551839

CC(C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 4/20 0.55
▸ C5AR1 P21730 1/20 0.53
▸ CTSL P07711 2/20 0.51
▸ CTSS P25774 2/20 0.51
▸ CTSK P43235 2/20 0.51
▸ CTSH P09668 1/20 0.51
▸ MC4R P32245 1/20 0.49

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
SCHEMBL31157044 0.88 CTSL (0.52) APLNRC5AR1CTSLCTSSCTSK
SCHEMBL29591975 0.88 APLNR (0.51) APLNRC5AR1CTSLCTSSCTSK
SCHEMBL30537456 0.88 APLNR (0.55) APLNRC5AR1MC4R
SCHEMBL29607109 0.87 APLNR (0.56) APLNRC5AR1MC4R
SCHEMBL29608384 0.87 APLNR (0.56) APLNRC5AR1MC4R
SCHEMBL29802046 0.87 OPRM1 (0.54) APLNRC5AR1CTSLCTSSCTSK
SCHEMBL29607931 0.87 C5AR1 (0.55) APLNRC5AR1CTSLCTSSCTSK
SCHEMBL29607221 0.87 C5AR1 (0.53) APLNRC5AR1CTSLCTSSCTSK
SCHEMBL29630628 0.87 APLNR (0.49) APLNRC5AR1CTSLCTSSCTSK
SCHEMBL29608111 0.87 APLNR (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114306649-A Targeting peptide modified drug-coated magnetic liposome and preparation method and application thereof 广东智达伊诺为科技有限公司 2022-04-12 — — CN disclosed
EP-3320923-B1 FLUORESCENT IMAGING AGENTS VISEN MEDICAL INC (US) 2022-04-06 — — EP disclosed
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