SCHEMBL31256989

SCHEMBL31256989

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.50
▸ APLNR P35414 3/20 0.49
▸ MAPK8 P45983 1/20 0.49
▸ MAPK9 P45984 1/20 0.49
▸ MAPK10 P53779 1/20 0.49
▸ CXCR4 P61073 1/20 0.48
▸ CTSL P07711 2/20 0.47
▸ CTSS P25774 2/20 0.47
▸ CTSK P43235 2/20 0.47
▸ CTSH P09668 1/20 0.47
▸ NPY2R P49146 7/20 0.47
▸ NPY4R P50391 7/20 0.47
▸ NPY5R Q15761 7/20 0.47
▸ NPY1R P25929 5/20 0.47
▸ F2 P00734 1/20 0.47
▸ CALCR P30988 1/20 0.46

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
SCHEMBL31257029 0.93 F2 (0.48) C5AR1F2CALCR
SCHEMBL31256979 0.90 MAPK8 (0.51) MAPK8MAPK9MAPK10CXCR4NPY2R
SCHEMBL30512749 0.89 NPY2R (0.55) C5AR1APLNRCXCR4NPY2RNPY4R
SCHEMBL16212659 0.88 C5AR1 (0.54) C5AR1APLNRCTSLCTSSCTSK
SCHEMBL30262103 0.88 F2 (0.60) MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30116695 0.88 C5AR1 (0.57) C5AR1APLNRNPY2RNPY4RNPY5R
SCHEMBL30432474 0.87 CALCR (0.53) MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30442638 0.86 F2 (0.51) C5AR1APLNRMAPK8MAPK9MAPK10
SCHEMBL29429586 0.86 NTSR1 (0.56) C5AR1
SCHEMBL30441868 0.86 F2 (0.52) C5AR1APLNRMAPK8MAPK9MAPK10

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
US-20240352445-A1 HUMANIZATION, AFFINITY MATURATION, AND OPTIMIZATION METHODS FOR PROTEINS AND ANTIBODIES ABWIZ BIO, INC. 2024-10-24 — — US disclosed
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