SCHEMBL7299174

SCHEMBL7299174

O=C(O)CN1CCN(c2ccccc2Cl)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.62
DRD2 P14416 5/20 0.61
DRD4 P21917 5/20 0.61
DRD3 P35462 4/20 0.61
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 2/20 0.57
PLA2G1B P04054 1/20 0.57
RAB9A P51151 1/20 0.57
ATG4B Q9Y4P1 1/20 0.57
OPRK1 P41145 1/20 0.56
HTR7 P34969 1/20 0.56
GAA P10253 1/20 0.55
GFER P55789 1/20 0.52
LMNA P02545 1/20 0.51
AKR1C3 P42330 1/20 0.51

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
SCHEMBL29831643 1.00 HTR1A (0.62) HTR1ADRD2DRD4DRD3ALDH1A1
Hydrochloric Acid SCHEMBL29832024 0.98 HTR1A (0.61) HTR1ADRD2DRD4DRD3ALDH1A1
SCHEMBL2113305 0.84 HTR1A (0.76) HTR1ADRD2DRD4DRD3KDM4E
SCHEMBL11104836 0.83 ALDH1A1 (0.47) HTR1ADRD2DRD4DRD3ALDH1A1
SCHEMBL3436276 0.82 ATM (0.56) ALDH1A1HTR7GAALMNAAKR1C3
Hydrochloric Acid SCHEMBL1374032 0.81 ALDH1A1 (0.67) ALDH1A1KDM4EGAAGFERLMNA
SCHEMBL3664190 0.80 DRD2 (0.59) HTR1ADRD2DRD4DRD3ALDH1A1
SCHEMBL24495626 0.79 ALDH1A1 (0.55) HTR1ADRD2DRD4DRD3ALDH1A1
SCHEMBL28360934 0.79 ALDH1A1 (0.55) HTR1ADRD2DRD4DRD3ALDH1A1
SCHEMBL6301694 0.79 MAPT (0.72) HTR1ADRD4ALDH1A1HTR7GFER

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
WO-2022118966-A1 AGENT FOR PROMOTING NUCLEIC ACID MOLECULE UPTAKE INTO CELLS, PHARMACEUTICAL COMPOSITION, AND NOVEL COMPOUND 国立大学法人京都大学 2022-06-09 WO disclosed
US-5378690-A Treatment of angiotensin induced hypertension SANKYO COMPANY, LIMITED (JP) 1995-01-03 US disclosed
EP-0274259-A2 New renin-inhibitory oligopeptides, their preparaton and their use Sankyo Company Limited (JP) 1988-07-13 EP disclosed