SCHEMBL10422751

SCHEMBL10422751

O=C(O)CCC(=NO)c1ccc(CCCCN2CCN(c3ncccn3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.64
SIGMAR1 Q99720 4/20 0.59
TMEM97 Q5BJF2 3/20 0.59
HTR1A P08908 4/20 0.58
DRD2 P14416 3/20 0.58
HTR2A P28223 3/20 0.58
DRD3 P35462 3/20 0.58
DRD1 P21728 1/20 0.58
DRD5 P21918 1/20 0.58
HTR2C P28335 2/20 0.52
ADRA2C P18825 1/20 0.52
HRH1 P35367 1/20 0.52
HRH3 Q9Y5N1 4/20 0.50
HTR7 P34969 2/20 0.47
SLC6A4 P31645 1/20 0.45

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
SCHEMBL10422750 1.00 DRD4 (0.64) DRD4SIGMAR1TMEM97HTR1ADRD2
SCHEMBL10422090 0.93 DRD4 (0.67) DRD4SIGMAR1TMEM97HTR1ADRD2
SCHEMBL10422093 0.93 DRD4 (0.67) DRD4SIGMAR1TMEM97HTR1ADRD2
SCHEMBL10423891 0.87 SIGMAR1 (0.60) DRD4SIGMAR1HTR1ADRD2HTR2A
SCHEMBL10423890 0.87 SIGMAR1 (0.60) DRD4SIGMAR1HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL10423847 0.86 HTR1A (0.64) DRD4SIGMAR1TMEM97HTR1ADRD2
SCHEMBL10422221 0.84 SIGMAR1 (0.59) DRD4SIGMAR1HTR1ADRD2HTR2A
SCHEMBL10422220 0.84 SIGMAR1 (0.59) DRD4SIGMAR1HTR1ADRD2HTR2A
SCHEMBL10422111 0.84 AR (0.52) DRD4SIGMAR1DRD2HTR2ADRD3
SCHEMBL10422112 0.84 AR (0.52) DRD4SIGMAR1DRD2HTR2ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4931443-A ANTIPSYCHOTIC AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-06-05 US disclosed
EP-0288575-A1 PIPERAZINE COMPOUNDS AND THEIR MEDICINAL USE Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1988-11-02 EP disclosed