SCHEMBL11261606

SCHEMBL11261606

O=C1CC2(CCCCC2)CC(=O)N1C1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
ADRA1B P35368 3/20 0.33
SIGMAR1 Q99720 1/20 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
SCHEMBL11245134 0.98 HTR1A (0.37) HTR1ADRD2HTR2AHRH1DRD3
SCHEMBL11253381 0.80 HTR2B (0.45) HTR1ADRD2HTR2AHRH1DRD3
SCHEMBL11268855 0.78 POLB (0.31)
SCHEMBL11249497 0.77 HTR7 (0.39)
SCHEMBL6971705 0.74 HTR7 (0.35) SMN1; SMN2
SCHEMBL3071129 0.73 TP53 (0.34)
Hydrochloric Acid SCHEMBL11250722 0.71 TP53 (0.33)
SCHEMBL11251647 0.70 NPY1R (0.39) SMN1; SMN2
SCHEMBL22800555 0.66 PLAT (0.33)
SCHEMBL3379242 0.65 SMN1; SMN2 (0.46) HTR1ADRD2HTR2AHRH1DRD3

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-4309541-A CHEMICAL INTERMEDIATES TO QUINAZOLINE HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1982-01-05 US disclosed
US-4255429-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1981-03-10 US disclosed
EP-0009465-A1 N-(1-(4-amino-2-quinazolinyl)-3 or 4-piperidyl lactames, process for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1980-04-02 EP disclosed