SCHEMBL9742829

SCHEMBL9742829

CC(C)(C)N1CCOC(c2cnc(N)c(Cl)c2)C1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.32
MAP3K12 Q12852 7/20 0.32
DRD3 P35462 1/20 0.31
PDE10A Q9Y233 1/20 0.31
PIK3CA P42336 1/20 0.30
PIK3CB P42338 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
SCHEMBL9640697 0.83 DRD3 (0.35) CNR2DRD3
Hydrochloric Acid SCHEMBL9651222 0.82 DRD3 (0.35) CNR2DRD3
SCHEMBL9742165 0.81 PIK3CA (0.35) DRD3PIK3CAPIK3CB
SCHEMBL9868201 0.78 DRD3 (0.49) DRD3
SCHEMBL2298189 0.73 PDE10A (0.42) CNR2DRD3PDE10A
SCHEMBL2293475 0.73 PDE10A (0.42) CNR2DRD3PDE10A
SCHEMBL9640630 0.71 DRD3 (0.44) CNR2DRD3
Hydrochloric Acid SCHEMBL9640898 0.70 DRD3 (0.43) CNR2DRD3
SCHEMBL12363949 0.69 CNR2 (0.45) CNR2DRD3
SCHEMBL9641992 0.69 CNR2 (0.45) CNR2DRD3

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
US-5077290-A Animal growth regulators, bronchodilators, antidepressants and antiobesity agents MERCK & CO., INC. (US) 1991-12-31 US claimed
US-5124328-A Animal growth antidepressants regulators MERCK & CO., INC. (US) 1992-06-23 US disclosed
US-5077290-A Animal growth regulators, bronchodilators, antidepressants and antiobesity agents MERCK & CO., INC. (US) 1991-12-31 US disclosed