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SCHEMBL28918838

SCHEMBL28918838

CC(NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)C(C)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CC(N)=O)C(=O)NC(CCC(N)=O)C(N)=O

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 11/20 0.70
▸ TFPI P10646 1/20 0.63
▸ IL23R Q5VWK5 2/20 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
SCHEMBL30130109 0.95 TFPI (0.64) OPRL1TFPIIL23R
SCHEMBL31060486 0.90 OPRL1 (0.69) OPRL1TFPI
Nociceptin SCHEMBL29356402 0.88 OPRL1 (0.66) OPRL1TFPI
SCHEMBL31719706 0.86 TFPI (0.65) OPRL1TFPI
SCHEMBL29548269 0.85 OPRL1 (0.65) OPRL1TFPI
SCHEMBL31536443 0.85 OPRL1 (0.78) OPRL1
SCHEMBL31536444 0.85 OPRL1 (0.78) OPRL1
SCHEMBL29623262 0.85 OPRL1 (0.78) OPRL1
SCHEMBL31504570 0.83 TFPI (0.67) OPRL1TFPIIL23R
SCHEMBL30974362 0.83 TFPI (0.56) OPRL1TFPIIL23R

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
CN-115487289-A Application of UFP-101 in preparing medicine for treating chronic heart failure 山西医科大学第二医院 2022-12-20 — — CN disclosed
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