SCHEMBL29723093

SCHEMBL29723093

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NTSR2 O95665 5/20 0.54
▸ NTSR1 P30989 5/20 0.54
▸ SORT1 Q99523 4/20 0.54
▸ CRHR1 P34998 1/20 0.53
▸ CRHR2 Q13324 1/20 0.53
▸ CALCR P30988 3/20 0.52
▸ OPRD1 P41143 2/20 0.50
▸ F2 P00734 1/20 0.50
▸ CXCL8 P10145 1/20 0.50

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
SCHEMBL29723441 0.94 CALCR (0.53) NTSR1CRHR1CRHR2CALCROPRD1
SCHEMBL29723134 0.94 CALCR (0.58) CRHR1CRHR2CALCROPRD1
SCHEMBL29723274 0.94 NTSR1 (0.51) NTSR2NTSR1SORT1F2CXCL8
SCHEMBL29722989 0.93 CALCR (0.55) NTSR1CRHR1CRHR2CALCROPRD1
SCHEMBL29722981 0.92 CXCL8 (0.50) NTSR2NTSR1SORT1CRHR1CRHR2
SCHEMBL29723075 0.91 CALCR (0.58) NTSR2NTSR1SORT1CRHR1CRHR2
SCHEMBL29723129 0.89 CALCR (0.56) CRHR1CRHR2CALCROPRD1
SCHEMBL29723433 0.88 F2 (0.50) NTSR2NTSR1SORT1OPRD1F2
SCHEMBL31182968 0.87 CALCR (0.65) CRHR1CRHR2CALCR
SCHEMBL29723009 0.84 CALCR (0.50) CRHR1CRHR2CALCROPRD1CXCL8

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
EP-3538543-B1 PROTRANSDUZIN-S - AN ENHANCER OF GENE TRANSFER PHARIS BIOTEC GMBH (DE) 2022-06-08 — — EP claimed
EP-3538543-B1 PROTRANSDUZIN-S - AN ENHANCER OF GENE TRANSFER PHARIS BIOTEC GMBH (DE) 2022-06-08 — — EP disclosed
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