SCHEMBL4542536

SCHEMBL4542536

CN1CCC(N2C[CH]CC2)C1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
NCF1 P14598 1/20 0.30
KDM1A O60341 1/20 0.30
ALOX15 P16050 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4537249 0.88 ALDH1A1 (0.37) ALDH1A1NCF1KDM1AALOX15L3MBTL1
SCHEMBL4537842 0.88 ALDH1A1 (0.33) ALDH1A1NCF1KDM1AALOX15L3MBTL1
SCHEMBL4542445 0.85 ALDH1A1 (0.34) ALDH1A1NCF1KDM1AALOX15L3MBTL1
SCHEMBL4535601 0.85
SCHEMBL16538765 0.76 ALDH1A1 (0.42) ALDH1A1NCF1KDM1AALOX15L3MBTL1
SCHEMBL737934 0.75
SCHEMBL1394992 0.74 L3MBTL1 (0.41) ALDH1A1NCF1KDM1AALOX15L3MBTL1
SCHEMBL23588994 0.72 ALDH1A1 (0.34) ALDH1A1NCF1L3MBTL1
SCHEMBL735446 0.72 SLC18A3 (0.35) ALDH1A1L3MBTL1
SCHEMBL4534766 0.72 ALDH1A1 (0.40) ALDH1A1NCF1KDM1AALOX15L3MBTL1

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-2009071691-A2 OXINDOLE DERIVATIVES AND THE USE THEREOF AS A MEDICATION ABBOTT GMBH & CO. KG (DE) 2009-06-11 WO disclosed