SCHEMBL30660761

SCHEMBL30660761

C[C@@H](O)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.55
▸ OPRK1 P41145 2/20 0.53
▸ CALCRL Q16602 4/20 0.53
▸ OPRD1 P41143 5/20 0.52
▸ OPRM1 P35372 1/20 0.49
▸ F2 P00734 1/20 0.49

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
SCHEMBL29530950 0.86 SLC6A2 (0.70) SLC6A2OPRK1CALCRLOPRD1OPRM1
SCHEMBL29530789 0.86 SLC6A2 (0.70) SLC6A2OPRK1CALCRLOPRD1OPRM1
SCHEMBL29531192 0.85 SLC6A2 (0.63) SLC6A2OPRK1OPRD1OPRM1
SCHEMBL31415946 0.85 SLC6A2 (0.63) SLC6A2OPRK1CALCRLOPRD1OPRM1
SCHEMBL30242503 0.84 SLC6A2 (0.63) SLC6A2OPRK1OPRD1OPRM1
SCHEMBL30974408 0.83 OPRD1 (0.56) SLC6A2OPRD1OPRM1F2
SCHEMBL30974025 0.83 OPRM1 (0.58) OPRK1CALCRLOPRD1OPRM1
SCHEMBL30242217 0.82 CALCRL (0.57) SLC6A2OPRK1CALCRLOPRD1OPRM1
SCHEMBL7760134 0.81 ACE (0.54) SLC6A2OPRK1CALCRLOPRD1OPRM1
SCHEMBL7760143 0.81 ACE (0.54) SLC6A2OPRK1CALCRLOPRD1OPRM1

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-110234335-B Pharmaceutical compositions and methods for treating female sexual dysfunction OVB(爱尔兰)有限公司 2023-12-01 — — CN disclosed
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