SCHEMBL9742165

SCHEMBL9742165

CC(C)(C)N1CCOC(c2cnc(N)nc2)C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.35
PIK3CB P42338 1/20 0.35
DRD3 P35462 6/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 1/20 0.33
PIK3R1 P27986 4/20 0.32
CHRM2 P08172 1/20 0.30
HTR1A P08908 1/20 0.30
HTR2B P41595 1/20 0.30
MTOR P42345 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
SCHEMBL9868201 0.85 DRD3 (0.49) DRD3DRD2DRD4
SCHEMBL9742829 0.81 CNR2 (0.32) PIK3CAPIK3CBDRD3
Hydrochloric Acid SCHEMBL9651222 0.77 DRD3 (0.35) DRD3CHRM2HTR1AHTR2B
Hydrochloric Acid SCHEMBL9641424 0.77 CNR2 (0.44) DRD3CHRM2HTR1AHTR2B
Hydrochloric Acid SCHEMBL10744957 0.76 PDE10A (0.40) DRD3DRD2CHRM2HTR1AHTR2B
SCHEMBL9640697 0.75 DRD3 (0.35) DRD3CHRM2HTR1AHTR2B
SCHEMBL13093625 0.75 CNR2 (0.45) DRD3CHRM2HTR1AHTR2B
SCHEMBL12363949 0.75 CNR2 (0.45) DRD3CHRM2HTR1AHTR2B
SCHEMBL9641992 0.75 CNR2 (0.45) DRD3CHRM2HTR1AHTR2B
SCHEMBL10744679 0.74 PDE10A (0.41) DRD3DRD2CHRM2HTR1AHTR2B

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-5124328-A Animal growth antidepressants regulators MERCK & CO., INC. (US) 1992-06-23 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