SCHEMBL31124516

SCHEMBL31124516

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.46
▸ OPRM1 P35372 2/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ NTSR1 P30989 5/20 0.43
▸ NTSR2 O95665 4/20 0.43
▸ REN P00797 3/20 0.43
▸ SORT1 Q99523 1/20 0.41
▸ APLNR P35414 2/20 0.41

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
SCHEMBL31124515 1.00 F2 (0.46) F2OPRM1OPRD1NTSR1NTSR2
SCHEMBL31072130 0.92 REN (0.46) OPRM1NTSR1NTSR2RENSORT1
SCHEMBL31127573 0.89 PSMB9 (0.42) F2NTSR1NTSR2RENSORT1
Histidine SCHEMBL7553838 0.89 KMT2A (0.51) F2OPRM1OPRD1NTSR1NTSR2
SCHEMBL29845324 0.87 REN (0.46) NTSR1NTSR2RENSORT1
SCHEMBL30661447 0.87 MC4R (0.45) F2OPRM1OPRD1NTSR1NTSR2
SCHEMBL29525618 0.86 REN (0.58) OPRM1OPRD1REN
SCHEMBL6516908 0.86 REN (0.58) OPRM1OPRD1REN
SCHEMBL11092435 0.86 REN (0.47) NTSR1NTSR2RENSORT1
SCHEMBL30676223 0.85 REN (0.47) F2NTSR1NTSR2RENSORT1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118743744-B Functional gynecological dressing for preventing or treating HPV infection 海南众康悦医疗器械有限公司 2025-04-22 — — CN claimed
CN-118743744-A Functional gynecological dressing for preventing or treating HPV infection 海南众康悦医疗器械有限公司 2024-10-08 — — CN claimed
CN-118743744-B Functional gynecological dressing for preventing or treating HPV infection 海南众康悦医疗器械有限公司 2025-04-22 — — CN disclosed
CN-118743744-A Functional gynecological dressing for preventing or treating HPV infection 海南众康悦医疗器械有限公司 2024-10-08 — — CN disclosed
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