SCHEMBL9533727

SCHEMBL9533727

O=C(O)CCCN1CCN(c2ncccn2)CC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.64
DRD2 P14416 3/20 0.64
HTR2A P28223 3/20 0.64
DRD4 P21917 2/20 0.64
ADRA2C P18825 1/20 0.64
HTR2C P28335 1/20 0.64
HRH1 P35367 1/20 0.64
DRD3 P35462 1/20 0.64
TMEM97 Q5BJF2 1/20 0.58
SIGMAR1 Q99720 1/20 0.58
HTR7 P34969 2/20 0.56
HRH3 Q9Y5N1 3/20 0.55
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
Hydrochloric Acid SCHEMBL9532906 0.98 HTR1A (0.62) HTR1ADRD2HTR2ADRD4ADRA2C
Hydrochloric Acid SCHEMBL9533610 0.98 HTR1A (0.62) HTR1ADRD2HTR2ADRD4ADRA2C
SCHEMBL17598216 0.95 HTR1A (0.62) HTR1ADRD2HTR2ADRD4ADRA2C
SCHEMBL2113038 0.90 HTR1A (0.71) HTR1ADRD2HTR2ADRD4ADRA2C
SCHEMBL16862217 0.88 HTR1A (0.64) HTR1ADRD2HTR2ADRD4ADRA2C
SCHEMBL10332949 0.82 HRH3 (0.62) HTR1ADRD2HTR2ADRD4ADRA2C
SCHEMBL26108581 0.81 HTR1A (0.65) HTR1ADRD2HTR2ADRD4ADRA2C
SCHEMBL26492991 0.81 HTR1A (0.65) HTR1ADRD2HTR2ADRD4ADRA2C
SCHEMBL9532652 0.80 DRD2 (0.56) HTR1ADRD2HTR2ADRD4ADRA2C
SCHEMBL9633626 0.80 HTR1A (0.77) HTR1ADRD2HTR2ADRD4ADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0314363-B1 ANTI-ANXIETY AGENTS PFIZER INC. (US) 1993-04-07 EP claimed
JP-1157979-A None JP disclosed
CN-1022246-C Method of preparation 1-acyl-3-(4-(2-pyrimidyl)-1-piperazyl) propane PFIZER (US) 1993-09-29 CN disclosed
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
CN-1042148-A Antianxiety agent PFIZER (US) 1990-05-16 CN disclosed
JP-H01157979-A 1-ACYL-3-(4-(2-PYRIMIDINYL)-1-PIPERAZINYL) PROPANES PFIZER INC 1989-06-21 JP 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