SCHEMBL25212045

SCHEMBL25212045

O=C(CC1CN2CCC1CC2)Oc1ccc2ccc3ccccc3c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA3 P32297 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ CHRNA7 P36544 1/20 0.40
▸ CYP2D6 P10635 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ HTR2A P28223 1/20 0.38

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
SCHEMBL25201822 0.80 L3MBTL1 (0.46) CHRNA3ALDH1A1CHRNA7L3MBTL1CHRNA4
SCHEMBL23199786 0.78 DRD2 (0.47) CHRNA3ALDH1A1L3MBTL1HTR1ADRD2
SCHEMBL378787 0.74 ALDH1A1 (0.51) ALDH1A1CYP2D6L3MBTL1MAPT
SCHEMBL28010902 0.74 TDP1 (0.47) ALDH1A1CYP2D6L3MBTL1MAPT
SCHEMBL1459283 0.72 MEN1 (0.52) ALDH1A1L3MBTL1POLBMAPT
Hydrochloric Acid SCHEMBL4285765 0.71 MEN1 (0.51) ALDH1A1L3MBTL1POLBMAPT
SCHEMBL31482564 0.71 TDP1 (0.44) ALDH1A1CYP2D6L3MBTL1MAPT
SCHEMBL34462112 0.71 TDP1 (0.44) ALDH1A1CYP2D6L3MBTL1MAPT
Hydrochloric Acid SCHEMBL23199832 0.71 POLB (0.44) ALDH1A1L3MBTL1POLBMAPT
SCHEMBL15882797 0.70 PDGFRB (0.55) ALDH1A1CYP2D6L3MBTL1MAPT

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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