SCHEMBL31419810

SCHEMBL31419810

C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 3/20 0.48
▸ OPRM1 P35372 4/20 0.47
▸ OPRD1 P41143 4/20 0.47
▸ BACE1 P56817 8/20 0.46
▸ OPRK1 P41145 1/20 0.45
▸ CTSD P07339 1/20 0.45
▸ OPRL1 P41146 1/20 0.44
▸ MME P08473 1/20 0.44

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
SCHEMBL31419815 1.00 KISS1R (0.48) KISS1ROPRM1OPRD1BACE1OPRK1
SCHEMBL29784904 0.94 BACE1 (0.47) OPRM1OPRD1BACE1CTSDMME
SCHEMBL30055181 0.92 MME (0.49) OPRM1OPRD1BACE1OPRK1CTSD
SCHEMBL31366730 0.89 OPRD1 (0.53) KISS1ROPRM1OPRD1OPRK1MME
SCHEMBL29658158 0.89 MME (0.50) OPRM1OPRD1MME
SCHEMBL31134971 0.87 MME (0.47) OPRM1OPRD1BACE1OPRK1CTSD
SCHEMBL29630729 0.86 MME (0.50) MME
SCHEMBL31257978 0.86 OPRD1 (0.57) KISS1ROPRM1OPRD1OPRK1MME
SCHEMBL31228813 0.86 OPRM1 (0.52) KISS1ROPRM1OPRD1BACE1OPRK1
SCHEMBL31514370 0.85 MME (0.53) MME

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-119523838-A Novel compound with efficient mosquito-repellent itching-relieving effect and application thereof 北京斯瑞朗文生物科技有限公司 2025-02-28 — — CN disclosed
CN-119523838-A Novel compound with efficient mosquito-repellent itching-relieving effect and application thereof 北京斯瑞朗文生物科技有限公司 2025-02-28 — — CN disclosed
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