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Sugi Predict / Compounds / SCHEMBL30712876

SCHEMBL30712876

SCHEMBL30712876

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.54
▸ OPRD1 P41143 2/20 0.54
▸ OPRL1 P41146 2/20 0.53
▸ GLP1R P43220 3/20 0.52
▸ OPRK1 P41145 1/20 0.51
▸ KISS1R Q969F8 2/20 0.51
▸ VIPR1 P32241 1/20 0.51
▸ TFPI P10646 1/20 0.51

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
SCHEMBL30576915 0.94 TFPI (0.54) GLP1RKISS1RVIPR1TFPI
SCHEMBL30576978 0.92 VIPR1 (0.58) GLP1RVIPR1TFPI
SCHEMBL30607447 0.90 CALCR (0.58) GLP1RVIPR1TFPI
SCHEMBL31697644 0.89 BACE1 (0.56) OPRM1OPRD1OPRL1GLP1RKISS1R
SCHEMBL30176450 0.88 GLP1R (0.61) GLP1RVIPR1TFPI
SCHEMBL30429493 0.88 OPRM1 (0.56) OPRM1OPRD1OPRL1OPRK1KISS1R
SCHEMBL30262215 0.87 OPRM1 (0.55) OPRM1OPRD1OPRL1OPRK1KISS1R
SCHEMBL31140113 0.87 VIPR2 (0.53) OPRM1OPRD1OPRK1VIPR1
SCHEMBL31167348 0.86 TFPI (0.60) GLP1RVIPR1TFPI
SCHEMBL30712875 0.86 TFPI (0.62) OPRM1OPRD1OPRL1OPRK1KISS1R

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
US-20240003881-A1 SYSTEM AND METHOD FOR RAPID AND SENSITIVE DETECTION OF ANTI-PATHOGEN ANTIBODIES THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2024-01-04 — — US disclosed
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