SCHEMBL31436666

SCHEMBL31436666

CCOC(=O)C1(c2ccc(OC)cc2)CNC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 7/20 0.52
▸ LMNA P02545 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ OPRD1 P41143 2/20 0.45
▸ OPRK1 P41145 2/20 0.45
▸ SLC22A1 O15245 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45

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
SCHEMBL28318807 0.86 OPRM1 (0.57) OPRM1LMNASMN1; SMN2NPSR1TDP1
SCHEMBL26637711 0.86 OPRM1 (0.61) OPRM1LMNATDP1OPRD1OPRK1
SCHEMBL26637663 0.77 OPRM1 (0.47) OPRM1OPRD1OPRK1SLC6A4
SCHEMBL10351842 0.77 OPRM1 (0.53) OPRM1CHRM2CHRM1OPRD1OPRK1
SCHEMBL10351516 0.77 OPRM1 (0.53) OPRM1CHRM2CHRM1OPRD1OPRK1
SCHEMBL23485591 0.76 OPRM1 (0.43) OPRM1LMNASMN1; SMN2NPSR1TDP1
SCHEMBL26637724 0.75 OPRM1 (0.55) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL26791021 0.75 ALDH1A1 (0.46) LMNAGAAKDM4EALDH1A1HPGD
SCHEMBL11219532 0.75 OPRM1 (0.58) OPRM1ALDH1A1CHRM2CHRM1
SCHEMBL14967672 0.75 ALDH1A1 (0.43) LMNAGAAKDM4EALDH1A1HPGD

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-119486999-A Azetidine compounds, pharmaceutical compositions thereof, methods of preparation and their use in the treatment of CNS disorders 伊科诺姆有限公司 2025-02-18 — — CN claimed
CN-119486999-A Azetidine compounds, pharmaceutical compositions thereof, methods of preparation and their use in the treatment of CNS disorders 伊科诺姆有限公司 2025-02-18 — — CN disclosed
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