SCHEMBL9530922

SCHEMBL9530922

O=C1NC(=O)C2C3CCC(C4CCC43)C12

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 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
SCHEMBL3198101 0.89 ALDH1A1 (0.38) ALDH1A1
SCHEMBL12438719 0.83 MAPT (0.40) ALDH1A1
SCHEMBL11849287 0.79 KDM4E (0.34)
SCHEMBL22260783 0.79 ALDH1A1 (0.45) ALDH1A1
SCHEMBL20043769 0.79 ALDH1A1 (0.45) ALDH1A1
SCHEMBL31265110 0.77 ALDH1A1 (0.41) ALDH1A1
SCHEMBL13286401 0.76 HSD11B1 (0.30)
SCHEMBL9527329 0.74 ALDH1A1 (0.56) ALDH1A1
SCHEMBL12920697 0.73 ALDH1A1 (0.37) ALDH1A1
SCHEMBL5398064 0.73 MAP3K14 (0.36) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0220873-B1 Fused bicyclic imides with psychotropic activity AMERICAN HOME PROD (US) 1993-11-24 EP disclosed
EP-0220873-A1 Fused bicyclic imides with psychotropic activity AMERICAN HOME PRODUCTS CORPORATION (US) 1987-05-06 EP disclosed