SCHEMBL29320078

SCHEMBL29320078

C1=CC2=CCCCN=C2CC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31

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
SCHEMBL28875346 0.73
SCHEMBL2500406 0.65
SCHEMBL22023761 0.64 CHRNB4 (0.34) ALDH1A1CHRNB4CHRNA3
SCHEMBL6058708 0.63 ALDH1A1 (0.30) ALDH1A1
SCHEMBL11983301 0.62 ALDH1A1 (0.33) ALDH1A1CHRNB4CHRNA3
SCHEMBL22471674 0.60
SCHEMBL21185909 0.59 CHRNB4 (0.37) ALDH1A1CHRNB4CHRNA3
SCHEMBL1930706 0.59
SCHEMBL4771296 0.58 CHRNB4 (0.41) ALDH1A1CHRNB4CHRNA3
SCHEMBL9322982 0.58 CHRNB4 (0.45) ALDH1A1CHRNB4CHRNA3

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
EP-4400490-A2 THERMOPLASTIC RESIN HAVING CARBONATE BOND Mitsubishi Chemical Corporation (JP) 2024-07-17 EP disclosed