Sugi Predict

Sugi Predict / Compounds / SCHEMBL31232439

SCHEMBL31232439

SCHEMBL31232439

CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.63
▸ OPRD1 P41143 4/20 0.63
▸ OPRK1 P41145 2/20 0.63
▸ NPY2R P49146 7/20 0.61
▸ NPY4R P50391 7/20 0.61
▸ NPY5R Q15761 7/20 0.61
▸ NPY1R P25929 5/20 0.61
▸ CALCR P30988 5/20 0.59
▸ RAMP3 O60896 1/20 0.59

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
SCHEMBL31005079 0.90 TFPI (0.67) OPRM1OPRD1OPRK1NPY2RNPY4R
SCHEMBL31182450 0.90 NPY2R (0.66) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30607338 0.90 NPY2R (0.64) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29376486 0.89 SLC6A2 (0.57) OPRM1OPRD1OPRK1NPY2RNPY4R
SCHEMBL29536416 0.89 OPRD1 (0.66) OPRM1OPRD1OPRK1NPY2RNPY4R
SCHEMBL30495727 0.89 OPRD1 (0.60) OPRM1OPRD1OPRK1NPY2RNPY4R
SCHEMBL30974369 0.89 OPRD1 (0.62) OPRM1OPRD1OPRK1NPY2RNPY4R
SCHEMBL29387110 0.89 CALCR (0.60) OPRM1OPRD1OPRK1NPY2RNPY4R
SCHEMBL30607439 0.89 CALCR (0.62) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30428290 0.89 CALCR (0.65) OPRM1OPRD1OPRK1NPY2RNPY4R

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-4642492-A1 AN ANTIBODY-DRUG CONJUGATE HAVING TWO OR MORE FUNCTIONAL SMALL MOLECULE COMPOUNDS FOR ENHANCED TREATMENT OF REFRACTORY DISEASES Hangzhou Seehe Biotechnology Co., Ltd (CN) 2025-11-05 — — EP claimed
WO-2024240173-A1 AN ANTIBODY-DRUG CONJUGATE HAVING TWO OR MORE FUNCTIONAL SMALL MOLECULE COMPOUNDS FOR ENHANCED TREATMENT OF REFRACTORY DISEASES HANGZHOU SEEHE BIOTECHNOLOGY CO., LTD (CN) 2024-11-28 — — WO claimed
Send feedback