SCHEMBL23965866

SCHEMBL23965866

CC(O)n1ccnc1C=O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL3986195 0.84 ALDH1A1 (0.33) ALDH1A1
SCHEMBL15331018 0.81 ALDH1A1 (0.32) ALDH1A1
SCHEMBL2555929 0.80 SMN1; SMN2 (0.30)
SCHEMBL5655855 0.78 ADORA2A (0.34) ALDH1A1
SCHEMBL29950751 0.76 ALDH1A1 (0.30) ALDH1A1
SCHEMBL2556179 0.76 BRD4 (0.31) ALDH1A1
SCHEMBL17969525 0.74
SCHEMBL28520005 0.74 FPR2 (0.47) ALDH1A1
SCHEMBL15330841 0.74 L3MBTL1 (0.38)
SCHEMBL31461512 0.73 FPR2 (0.32)

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-3903784-A1 CYCLIC AMINE DERIVATIVE AS ADVILLIN FUNCTION PROMOTER AND NOVEL CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Toray Industries, Inc. (JP) 2021-11-03 EP disclosed