SCHEMBL10733822

SCHEMBL10733822

CC(CC(=O)O)C(=O)c1ccc(NCCCCN(C)C)c(N)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 10/20 0.48
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ PTGER4 P35408 3/20 0.44
▸ HPGD P15428 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ PLEC Q15149 1/20 0.42
▸ TOP2B Q02880 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ BRCA1 P38398 1/20 0.35
▸ HIF1A Q16665 1/20 0.35

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
SCHEMBL10732354 0.83 HCAR3 (0.55) PRSS1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7973995 0.76 PRSS1 (0.50) PRSS1KDM4EALDH1A1GAAMAPT
SCHEMBL7970325 0.75 PTGER4 (0.50) PRSS1KDM4EALDH1A1GAAMAPT
SCHEMBL7970533 0.72 PTGER4 (0.72) PRSS1KDM4EALDH1A1GAAMAPT
SCHEMBL7960468 0.71 PTGER4 (0.50) PRSS1KDM4EALDH1A1GAAMAPT
SCHEMBL7960466 0.70 PTGER4 (0.52) PRSS1KDM4EALDH1A1GAAMAPT
SCHEMBL29513036 0.69 PRSS1 (0.71) PRSS1KDM4EALDH1A1GAAMAPT
SCHEMBL22428322 0.69 PRSS1 (0.71) PRSS1KDM4EALDH1A1GAAMAPT
SCHEMBL15585986 0.68 SMN1; SMN2 (0.46) PRSS1SMN1; SMN2BRCA1HIF1A
SCHEMBL5881658 0.68 HPGD (0.49) PRSS1KDM4EALDH1A1GAAMAPT

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-4699909-A CARDIOTONICS, HYPOTENSIVES AND ANTITHROMBOTICS DR. KARL THOMAE GMBH (DE) 1987-10-13 — — US disclosed
US-4616018-A CARDIOTOINC AGENTS, HYPOTENSIVES, AND ANTICOAGULANTS KARL THOMAE GMBH (DE) 1986-10-07 — — US disclosed
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