SCHEMBL31436682

SCHEMBL31436682

CCOC(=O)C1(c2ccc(F)c(F)c2)CNC1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.42
▸ SLC6A3 Q01959 2/20 0.42
▸ CHRNA1 P02708 1/20 0.42
▸ CHRNG P07510 1/20 0.42
▸ CHRNB1 P11230 1/20 0.42
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNB4 P30926 1/20 0.42
▸ CHRNA3 P32297 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ CHRND Q07001 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.39
▸ OPRM1 P35372 4/20 0.38
▸ KCNN4 O15554 2/20 0.38
▸ CCR2 P41597 1/20 0.38
▸ SLC6A4 P31645 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ SLC22A1 O15245 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
SCHEMBL26637666 1.00 SLC6A2 (0.42) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL26637709 0.87 SLC6A2 (0.44) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL31436641 0.87 SLC6A2 (0.44) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL26637568 0.84 SLC6A2 (0.45) SLC6A2SLC6A3CHRNA1CHRNB1CHRNB2
SCHEMBL31685947 0.84 SLC6A2 (0.45) SLC6A2SLC6A3CHRNA1CHRNB1CHRNB2
SCHEMBL26637876 0.81 OPRM1 (0.42) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL26637850 0.79 ALDH1A1 (0.39) ALDH1A1OPRM1CCR2OPRD1OPRK1
SCHEMBL31436670 0.79 ALDH1A1 (0.39) ALDH1A1OPRM1CCR2OPRD1OPRK1
SCHEMBL7990127 0.78 SLC6A2 (0.41) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL26637740 0.77 CHRNA1 (0.39) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1

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
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