SCHEMBL11389986

SCHEMBL11389986

O=C(ON(C1CCCCC1)C1CCCCC1)C1Cc2ccccc2CN1C(=O)CCS

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.44
PREP P48147 4/20 0.43
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 4/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39

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
SCHEMBL11147302 0.83 KMT2A (0.46) ACEPREPTDP1L3MBTL1POLB
SCHEMBL11398821 0.82 ACE (0.63) ACE
SCHEMBL11052936 0.78 ACE (0.42) ACE
SCHEMBL11374219 0.76 ACE (0.66) ACEPREPTDP1L3MBTL1POLB
SCHEMBL11389983 0.76 ACE (0.54) ACEPREPTDP1L3MBTL1POLB
SCHEMBL11149876 0.73 ACE (0.55) ACEKMT2A
SCHEMBL11047662 0.71 ACE (0.43) ACEPOLBKDM4EMEN1KMT2A
SCHEMBL19931777 0.68 NR1D1 (0.63) ACEPREPTDP1L3MBTL1POLB
SCHEMBL11047768 0.68 MTNR1A (0.38) L3MBTL1MEN1KMT2A
SCHEMBL22196919 0.67 POLB (0.49) ACEPREPTDP1L3MBTL1POLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4256751-A HYPOTENSIVE AGENTS TANABE SEIYAKU CO., LTD. (JP) 1981-03-17 US disclosed