SCHEMBL7367385

SCHEMBL7367385

[CH2]C1CC(c2ccccc2)=CCN1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.47
HTR2C P28335 2/20 0.46
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2A P28223 1/20 0.34
HTR6 P50406 1/20 0.34
F2 P00734 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL7369173 0.83 NISCH (0.35) SIGMAR1HTR2C
SCHEMBL7360100 0.83 SIGMAR1 (0.49) SIGMAR1HTR2C
SCHEMBL120894 0.80 SIGMAR1 (0.47) SIGMAR1HTR2CHTR2AHTR6F2
SCHEMBL9404131 0.78 SIGMAR1 (0.46) SIGMAR1HTR2CDRD2DRD4DRD3
SCHEMBL16371769 0.74 SIGMAR1 (0.42) SIGMAR1HTR2CHTR2AHTR6F2
SCHEMBL5265951 0.73 POLB (0.44) SIGMAR1HTR2C
SCHEMBL25334138 0.72 F2 (0.48) SIGMAR1HTR2CF2ALDH1A1LMNA
SCHEMBL7808380 0.71 DRD2 (0.48) SIGMAR1HTR2CDRD2DRD4DRD3
Hydrochloric Acid SCHEMBL6586236 0.71 HTR2C (0.41) SIGMAR1HTR2CF2
SCHEMBL9868832 0.71 SIGMAR1 (0.39) SIGMAR1HTR2CDRD2DRD4DRD3

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-5137889-A Hypotensive agents; coronary vasodilators; calcium antagonists; antiinflammatory agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-08-11 US disclosed
US-5034395-A Hypotensive agents, carboxylated dihydropyridines OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-07-23 US disclosed
EP-0145434-A2 Novel dihydropyridine derivatives and process for preparing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-06-19 EP disclosed