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SCHEMBL9074145

SCHEMBL9074145

CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.69
▸ IL23R Q5VWK5 16/20 0.62
▸ OPRM1 P35372 1/20 0.57
▸ OPRD1 P41143 1/20 0.57
▸ OPRK1 P41145 1/20 0.57

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
SCHEMBL31664359 0.87 TFPI (0.68) TFPI
SCHEMBL31664373 0.87 TFPI (0.68) TFPI
SCHEMBL31664374 0.86 TFPI (0.68) TFPIOPRM1OPRD1OPRK1
SCHEMBL29479821 0.86 TFPI (0.62) TFPI
SCHEMBL30429246 0.86 TFPI (0.61) TFPIIL23R
SCHEMBL30880890 0.86 NPY4R (0.54) TFPIIL23ROPRM1OPRD1OPRK1
SCHEMBL31664362 0.85 TFPI (0.67) TFPI
SCHEMBL30429336 0.85 VIPR1 (0.65) TFPI
SCHEMBL15185899 0.84 IL23R (0.73) TFPIIL23R
SCHEMBL30063022 0.84 TFPI (0.64) TFPI

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
US-5519000-A OLIGOPEPTIDE CENTECOR, INC. (US) 1996-05-21 — — US disclosed
WO-1995026744-A1 TUMOR NECROSIS FACTOR INHIBITORS CENTOCOR, INC. (US) 1995-10-12 — — WO disclosed
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