SCHEMBL8606645

SCHEMBL8606645

C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 1/20 0.40
▸ OPRD1 P41143 4/20 0.40
▸ OPRM1 P35372 3/20 0.40
▸ ACE P12821 3/20 0.40
▸ IL23R Q5VWK5 1/20 0.39
▸ NTSR2 O95665 1/20 0.38
▸ NTSR1 P30989 1/20 0.38

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
SCHEMBL9081658 0.86 CXCR4 (0.51) CXCR4IL23R
SCHEMBL31255673 0.78 CXCR4 (0.55) CXCR4IL23R
SCHEMBL30751614 0.77 ACE (0.47) ACE
SCHEMBL30148151 0.76 ACE (0.45) CXCR4OPRD1OPRM1ACENTSR2
SCHEMBL31127567 0.76 OPRK1 (0.48) OPRD1ACENTSR2NTSR1
SCHEMBL31127570 0.76 OPRK1 (0.49) ACENTSR2NTSR1
SCHEMBL30631705 0.75 CD4 (0.46) OPRD1ACE
SCHEMBL30880891 0.75 NTSR1 (0.48) OPRD1NTSR2NTSR1
SCHEMBL30116344 0.74 ACE (0.47) OPRD1OPRM1ACENTSR2NTSR1
SCHEMBL30751582 0.74 ACE (0.44) ACENTSR2NTSR1

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-0828521-A1 SEQUESTERED IMAGING AGENTS RESOLUTION PHARMACEUTICALS INC. (CA) 1998-03-18 — — EP claimed
WO-1996038185-A1 SEQUESTERED IMAGING AGENTS RESOLUTION PHARMACEUTICALS INC. (CA) 1996-12-05 — — WO claimed
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