SCHEMBL9532652

SCHEMBL9532652

CCOC(=O)CCCN1CCN(c2ncccn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.56
HTR1A P08908 4/20 0.56
DRD4 P21917 3/20 0.56
HTR2A P28223 3/20 0.56
DRD3 P35462 2/20 0.56
ADRA2C P18825 1/20 0.56
HTR2C P28335 1/20 0.56
HRH1 P35367 1/20 0.56
HRH3 Q9Y5N1 4/20 0.56
TMEM97 Q5BJF2 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
MAOB P27338 3/20 0.50
KDM4E B2RXH2 1/20 0.50
MDM2 Q00987 1/20 0.50
HTR7 P34969 1/20 0.50

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
SCHEMBL9766044 0.86 SIGMAR1 (0.54) DRD2HTR1ADRD4HTR2ADRD3
SCHEMBL10817438 0.83 KDM4E (0.61) DRD2DRD4DRD3HRH3KDM4E
SCHEMBL8700838 0.82 HRH3 (0.61) DRD2HTR1ADRD4HTR2ADRD3
SCHEMBL11861074 0.81 CYP1A2 (0.53) HRH1
SCHEMBL9533727 0.80 HTR1A (0.64) DRD2HTR1ADRD4HTR2ADRD3
SCHEMBL16862217 0.80 HTR1A (0.64) DRD2HTR1ADRD4HTR2ADRD3
SCHEMBL8160104 0.80 HTR1A (0.58) DRD2HTR1ADRD4HTR2ADRD3
Hydrochloric Acid SCHEMBL8838070 0.80 HRH3 (0.56) DRD4HTR2AHTR2CHRH1HRH3
SCHEMBL9755203 0.79 CASP1 (0.49)
Hydrochloric Acid SCHEMBL9532906 0.79 HTR1A (0.62) DRD2HTR1ADRD4HTR2ADRD3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0314363-B1 ANTI-ANXIETY AGENTS PFIZER INC. (US) 1993-04-07 EP disclosed
US-4994455-A 1-(heterocyclcarbonyl)-3-(4-(2-pyrimidinyl)-1-piperazinyl)-propane PFIZER INC. (US) 1991-02-19 US disclosed
WO-1989003831-A1 ANTI-ANXIETY AGENTS PFIZER INC. (US) 1989-05-05 WO disclosed
EP-0314363-A2 Anti-anxiety agents PFIZER INC. (US) 1989-05-03 EP disclosed