SCHEMBL21375136

SCHEMBL21375136

O/N=C1\CC2CCC1NC2

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL18699383 1.00 ALDH1A1 (0.38) ALDH1A1
SCHEMBL18386469 0.81
SCHEMBL23597981 0.67
SCHEMBL19151332 0.67
SCHEMBL22941675 0.67
SCHEMBL9875715 0.66 ALDH1A1 (0.31) ALDH1A1
SCHEMBL9875720 0.66 ALDH1A1 (0.31) ALDH1A1
SCHEMBL17988284 0.62
SCHEMBL13721763 0.62
SCHEMBL3150020 0.55 ALDH1A1 (1.00) ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3622956-B9 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-09-27 EP disclosed
EP-3622956-B1 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-06-07 EP disclosed
EP-3363438-B1 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-09-18 EP disclosed