SCHEMBL30065734

SCHEMBL30065734

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.48
▸ OPRD1 P41143 3/20 0.48
▸ ACE P12821 5/20 0.48
▸ OPRK1 P41145 1/20 0.46
▸ FOLH1 Q04609 1/20 0.46
▸ NPY1R P25929 1/20 0.44
▸ NPY2R P49146 1/20 0.44
▸ NPY4R P50391 1/20 0.44
▸ IL1RN P18510 2/20 0.44
▸ ERAP2 Q6P179 2/20 0.44
▸ REN P00797 1/20 0.44
▸ F2 P00734 2/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ MMP7 P09237 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP12 P39900 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ ERAP1 Q9NZ08 1/20 0.43

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
SCHEMBL30728853 1.00 OPRM1 (0.48) OPRM1OPRD1ACEOPRK1FOLH1
SCHEMBL30728852 0.95 OPRM1 (0.52) OPRM1OPRD1ACEOPRK1IL1RN
SCHEMBL29986177 0.95 OPRM1 (0.52) OPRM1OPRD1ACEOPRK1IL1RN
SCHEMBL29993760 0.88 NPY4R (0.53) OPRM1OPRD1ACEOPRK1FOLH1
SCHEMBL30034864 0.88 NPY1R (0.53) OPRM1OPRD1ACEFOLH1NPY1R
SCHEMBL29705780 0.88 OPRD1 (0.54) OPRM1OPRD1ACEOPRK1FOLH1
SCHEMBL29815237 0.87 NPY4R (0.51) OPRM1OPRD1OPRK1FOLH1NPY1R
SCHEMBL5598789 0.86 MME (0.46) ACEMMP2MMP7MMP9MMP12
SCHEMBL5598794 0.86 MME (0.46) ACEMMP2MMP7MMP9MMP12
SCHEMBL30692732 0.86 MME (0.46) ACEMMP2MMP7MMP9MMP12

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
CN-115322258-A Monoclonal antibody QKMA-1G41 and application thereof 武汉真福医药股份有限公司 2022-11-11 — — CN claimed
CN-115322258-A Monoclonal antibody QKMA-1G41 and application thereof 武汉真福医药股份有限公司 2022-11-11 — — CN disclosed
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