SCHEMBL9558287

SCHEMBL9558287

[CH2]CN1CCN(c2cnccn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SORD Q00796 1/20 0.51
KDM4E B2RXH2 1/20 0.50
DRD4 P21917 2/20 0.49
HRH3 Q9Y5N1 7/20 0.48
DRD2 P14416 2/20 0.48
DRD3 P35462 2/20 0.48
HTR1A P08908 1/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL10294622 0.82 SORD (0.51) SORDKDM4EDRD4HRH3DRD2
SCHEMBL2074811 0.79 SORD (0.51) SORDKDM4EDRD4HRH3DRD2
SCHEMBL23374607 0.79 HRH3 (0.55) SORDKDM4EHRH3DRD2DRD3
SCHEMBL31140251 0.79 HRH3 (0.55) SORDKDM4EHRH3DRD2DRD3
SCHEMBL3137995 0.79 HRH3 (0.52) SORDKDM4EDRD4HRH3DRD2
SCHEMBL6183959 0.78 SORD (0.51) SORDKDM4EDRD4HRH3DRD2
SCHEMBL3145713 0.78 SORD (0.48) SORDKDM4EDRD4HRH3DRD2
SCHEMBL26436593 0.78 SORD (0.51) SORDKDM4EDRD4HRH3DRD2
SCHEMBL19035675 0.77 HRH3 (0.47) SORDKDM4EDRD4HRH3DRD2
SCHEMBL19035627 0.77 HTR1A (0.46) SORDKDM4EDRD4HRH3DRD2

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-5215967-A AMINOACID DERIVATIVES INHIBITING RENIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-06-01 US disclosed
EP-0371390-A2 Amino acid derivatives MERCK PATENT GmbH (DE) 1990-06-06 EP disclosed