SCHEMBL29635007

SCHEMBL29635007

C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 1/20 0.52
▸ MAPK8 P45983 1/20 0.51
▸ MAPK9 P45984 1/20 0.51
▸ MAPK10 P53779 1/20 0.51
▸ MC4R P32245 1/20 0.51
▸ SLC40A1 Q9NP59 1/20 0.50
▸ CTSL P07711 3/20 0.49
▸ CTSS P25774 3/20 0.49
▸ CTSK P43235 3/20 0.49
▸ KEAP1 Q14145 2/20 0.49
▸ CTSH P09668 1/20 0.49
▸ IL23R Q5VWK5 1/20 0.49
▸ CALCR P30988 4/20 0.48
▸ CALCRL Q16602 2/20 0.48
▸ GLP1R P43220 1/20 0.48
▸ GCGR P47871 1/20 0.48
▸ GIPR P48546 1/20 0.48
▸ NMUR2 Q9GZQ4 1/20 0.48
▸ NMUR1 Q9HB89 1/20 0.48
▸ CRHR1 P34998 1/20 0.48

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
SCHEMBL29675066 0.95 MC4R (0.56) APLNRMAPK8MAPK9MAPK10MC4R
SCHEMBL30262190 0.90 APLNR (0.53) APLNRMAPK8MAPK9MAPK10MC4R
SCHEMBL29634985 0.85 CALCRL (0.57) KEAP1CALCRLNMUR2NMUR1
SCHEMBL29934240 0.85 APLNR (0.61) APLNRMAPK8MAPK9MAPK10CTSL
SCHEMBL30974054 0.85 CALCRL (0.56) APLNRMAPK8MAPK9MAPK10CTSL
SCHEMBL30974445 0.84 CALCRL (0.55) APLNRMAPK8MAPK9MAPK10CTSL
SCHEMBL31386983 0.84 C5AR1 (0.58) MC4RKEAP1IL23RCALCR
SCHEMBL30974077 0.83 EPHA2 (0.57) APLNRCTSLCTSSCTSKKEAP1
SCHEMBL30231309 0.83 APLNR (0.62) APLNRMAPK8MAPK9MAPK10CTSL
SCHEMBL29506916 0.83 APLNR (0.52) APLNRMAPK8MAPK9MAPK10SLC40A1

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-3997104-A1 COMPOUNDS COMPRISING A FIBROBLAST ACTIVATION PROTEIN LIGAND AND USE THEREOF 3B Pharmaceuticals GmbH (DE) 2022-05-18 — — EP disclosed
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