SCHEMBL9557526

SCHEMBL9557526

C=C[CH]N1CCN(c2cnccn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ SORD Q00796 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.45
▸ DRD4 P21917 2/20 0.44
▸ SLC6A7 Q99884 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.41
▸ DRD2 P14416 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL7678393 0.79 L3MBTL1 (0.50) LMNAL3MBTL1SORDKDM4EDRD4
SCHEMBL2074811 0.77 SORD (0.51) LMNAL3MBTL1SORDKDM4EDRD4
SCHEMBL2320496 0.74 SORD (0.51) LMNAL3MBTL1SORDKDM4EDRD4
SCHEMBL31014265 0.74 SORD (0.51) LMNAL3MBTL1SORDKDM4EDRD4
SCHEMBL18228513 0.74 SORD (0.51) LMNAL3MBTL1SORDKDM4EDRD4
SCHEMBL15887427 0.73 SORD (0.51) LMNAL3MBTL1SORDKDM4EDRD4
SCHEMBL2074813 0.73 LMNA (0.54) LMNAL3MBTL1SORDKDM4ESLC6A7
SCHEMBL27723124 0.72 SLC6A7 (0.59) LMNAL3MBTL1SORDKDM4ESLC6A7
SCHEMBL9558287 0.72 SORD (0.51) LMNAL3MBTL1SORDKDM4EDRD4
SCHEMBL2320514 0.72 SORD (0.50) LMNAL3MBTL1SORDKDM4EDRD4

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
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