SCHEMBL31436670

SCHEMBL31436670

CCOC(=O)C1(c2ccc(F)c(F)c2)CN(CC)C1C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ OPRM1 P35372 5/20 0.39
▸ OPRK1 P41145 4/20 0.38
▸ OPRD1 P41143 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CCR2 P41597 1/20 0.36

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
SCHEMBL26637850 1.00 ALDH1A1 (0.39) ALDH1A1OPRM1OPRK1OPRD1KDM4E
SCHEMBL26638146 0.89 CCR2 (0.37) OPRK1CCR2
SCHEMBL31436660 0.89 CCR2 (0.37) OPRK1CCR2
SCHEMBL26637666 0.79 SLC6A2 (0.42) ALDH1A1OPRM1OPRK1OPRD1CCR2
SCHEMBL31436682 0.79 SLC6A2 (0.42) ALDH1A1OPRM1OPRK1OPRD1CCR2
SCHEMBL26638096 0.75 OPRM1 (0.50) OPRM1OPRK1OPRD1
SCHEMBL31436608 0.75 OPRM1 (0.41) ALDH1A1OPRM1OPRK1OPRD1CCR2
SCHEMBL31685910 0.75 OPRM1 (0.50) OPRM1OPRK1OPRD1
SCHEMBL26637720 0.75 OPRM1 (0.41) ALDH1A1OPRM1OPRK1OPRD1CCR2
SCHEMBL31436663 0.74 OPRM1 (0.54) OPRM1OPRK1OPRD1

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-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
Send feedback