SCHEMBL25201822

SCHEMBL25201822

O=C(Oc1ccc2ccc3ccccc3c2c1)C1CN2CCC1CC2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CHRNA3 P32297 1/20 0.45
▸ CHRNA7 P36544 2/20 0.42
▸ GAA P10253 1/20 0.40
▸ HTR3E A5X5Y0 1/20 0.39
▸ HTR3B O95264 1/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ HTR3D Q70Z44 1/20 0.39
▸ HTR3C Q8WXA8 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL25212045 0.80 CHRNA3 (0.43) L3MBTL1CHRNA3CHRNA7CHRNA4HTR3A
SCHEMBL31501222 0.76 L3MBTL1 (0.57) L3MBTL1CHRNA3ALDH1A1
SCHEMBL31482566 0.74 L3MBTL1 (0.61) L3MBTL1CHRNA3GAAHTR3EHTR3B
SCHEMBL31501221 0.73 L3MBTL1 (0.59) L3MBTL1CHRNA3GAAALDH1A1
SCHEMBL14808828 0.72 ALDH1A1 (0.59) CHRNA7GAAHTR3AALDH1A1
SCHEMBL28046872 0.71 L3MBTL1 (0.50) L3MBTL1CHRNA3GAAALDH1A1
SCHEMBL31198258 0.71 SMN1; SMN2 (0.46) L3MBTL1CHRNA3ALDH1A1
SCHEMBL31198253 0.71 SMN1; SMN2 (0.46) L3MBTL1CHRNA3ALDH1A1
SCHEMBL31482568 0.71 L3MBTL1 (0.50) L3MBTL1CHRNA3GAAALDH1A1
SCHEMBL14808496 0.70 GAA (0.53) GAAALDH1A1

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
WO-2023086465-A1 COMPOSITIONS FOR THE DELIVERY OF PAYLOAD MOLECULES TO AIRWAY EPITHELIUM MODERNATX, INC. (US) 2023-05-19 — — WO disclosed
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