SCHEMBL10696584

SCHEMBL10696584

CC(CC=O)N1CCC(NCc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.52
BACE1 P56817 11/20 0.52
BCHE P06276 8/20 0.52
FABP6 P51161 1/20 0.50
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
EBP Q15125 1/20 0.46
DHCR7 Q9UBM7 1/20 0.46
GRIN2B Q13224 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
MOGAT2 Q3SYC2 1/20 0.44
DRD4 P21917 1/20 0.44
HTR5A P47898 1/20 0.44

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
SCHEMBL18640261 0.81 ACHE (0.55) ACHEBACE1BCHEFABP6CARM1
SCHEMBL9233879 0.75 ACHE (0.51) ACHEBACE1BCHEFABP6CARM1
SCHEMBL11371929 0.75 ACHE (0.60) ACHEBACE1BCHEFABP6CARM1
SCHEMBL8081164 0.74 ACHE (0.68) ACHEBACE1BCHEFABP6CARM1
SCHEMBL13848430 0.73 DRD4 (0.57) ACHEBACE1BCHEFABP6CARM1
SCHEMBL3757285 0.72 IDO1 (0.44) ACHEBACE1BCHECARM1PRMT6
SCHEMBL20492779 0.71 CARM1 (0.68) ACHEBACE1BCHECARM1PRMT6
SCHEMBL663239 0.71 GRIN2B (0.74) ACHEBACE1BCHECARM1PRMT6
SCHEMBL29238649 0.71 DRD4 (0.61) ACHEBACE1BCHEFABP6CARM1
SCHEMBL16538645 0.71 HRH3 (0.63) ACHEBACE1BCHECARM1PRMT6

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-0252482-A2 7-Acyloxy-6-aminoacyloxypolyoxylabdanes, process for their preparation and their use as medicine HOECHST AKTIENGESELLSCHAFT (DE) 1988-01-13 EP disclosed
EP-0217372-A2 Polyoxygenated labdane derivatives, process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1987-04-08 EP disclosed