SCHEMBL9339111

SCHEMBL9339111

[CH2]N(CCCCCC)C(=O)Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICMT O60725 3/20 0.59
ALB P02768 3/20 0.59
EPHX1 P07099 3/20 0.54
ALDH1A1 P00352 2/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.51
SOAT2 O75908 1/20 0.49
SOAT1 P35610 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47

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
SCHEMBL9339206 0.98 ICMT (0.57) ICMTALBEPHX1ALDH1A1HTT
SCHEMBL9337294 0.94 HDAC6 (0.52) ICMTALBEPHX1ALDH1A1HTT
SCHEMBL9340742 0.87 MEN1 (0.54) ICMTALBALDH1A1NPSR1MEN1
SCHEMBL9435656 0.84 CA12 (0.64) ICMTALBEPHX1ALDH1A1HTT
SCHEMBL25276969 0.84 CA12 (0.64) ICMTALBEPHX1ALDH1A1HTT
SCHEMBL7611007 0.83 ICMT (0.61) ICMTALBEPHX1ALDH1A1HTT
SCHEMBL7621060 0.83 ICMT (0.61) ICMTALBEPHX1ALDH1A1HTT
SCHEMBL25226015 0.83 ICMT (0.61) ICMTALBEPHX1ALDH1A1HTT
SCHEMBL10596306 0.83 CA12 (0.61) ICMTALBEPHX1ALDH1A1HTT
SCHEMBL25272478 0.82 ICMT (0.59) ICMTALBEPHX1ALDH1A1HTT

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-5332750-A Treatment of hypertension, aldosteronism, cardiac insufficienc y MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-07-26 US disclosed
EP-0530702-A1 1,2-dihydro-2-oxopyridines as angiotensin II antagonists MERCK PATENT GmbH (DE) 1993-03-10 EP disclosed