SCHEMBL9340949

SCHEMBL9340949

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
THRB P10828 1/20 0.48
HPGD P15428 1/20 0.47
ALDH1A1 P00352 2/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
NAPRT Q6XQN6 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
SCHEMBL29140939 0.83 HDAC1 (0.64) MTORHDAC1HDAC6NPC1RAB9A
SCHEMBL7613993 0.81 MTOR (0.53) MTORHDAC1HDAC6NPC1RAB9A
SCHEMBL9337338 0.81 MEN1 (0.62) MTORNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3483320 0.81 HDAC1 (0.59) MTORHDAC1HDAC6NPC1RAB9A
SCHEMBL9340742 0.78 MEN1 (0.54) MTORHDAC1HDAC6NPC1RAB9A
SCHEMBL9340888 0.77 MTOR (0.56) MTORNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL7614921 0.75 LMNA (0.56) MTORHDAC1HDAC6NPC1RAB9A
SCHEMBL9337294 0.75 HDAC6 (0.52) HDAC1HDAC6KMT2AMEN1NPSR1
SCHEMBL9337457 0.74 MTOR (0.56) MTORNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL9339206 0.74 ICMT (0.57) HDAC1HDAC6KMT2AMEN1NPSR1

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