SCHEMBL27468053

SCHEMBL27468053

CCC(C)NC(CCCNC(=N)N)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ TDP1 Q9NUW8 5/20 0.35
▸ ATM Q13315 2/20 0.35
▸ MAPT P10636 2/20 0.34
▸ NPY4R P50391 5/20 0.34
▸ NPY1R P25929 3/20 0.34
▸ CTSK P43235 2/20 0.34
▸ NPSR1 Q6W5P4 4/20 0.34
▸ POLB P06746 3/20 0.34
▸ NOS1 P29475 2/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ CAPN1 P07384 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ NPY2R P49146 2/20 0.32
▸ NPY5R Q15761 2/20 0.32

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
SCHEMBL27468052 1.00 MEN1 (0.39) MEN1KMT2AGAAMAOAMAOB
SCHEMBL13863591 0.82 MEN1 (0.42) MEN1KMT2AGAAMAOAMAOB
SCHEMBL19227057 0.81 NPY4R (0.37) MEN1KMT2ANPY4RNPY1RNPY2R
SCHEMBL19090970 0.81 NPY4R (0.35) NPY4RNPY1RNPY2RNPY5R
SCHEMBL14228397 0.81 NPY4R (0.35) NPY4RNPY1RNPY2RNPY5R
SCHEMBL27484588 0.81 MEN1 (0.40) MEN1KMT2AGAAMAOAMAOB
SCHEMBL27484587 0.81 MEN1 (0.40) MEN1KMT2AGAAMAOAMAOB
SCHEMBL3693813 0.81 MEN1 (0.41) MEN1KMT2AGAAMAOAMAOB
SCHEMBL19386721 0.80 NPY4R (0.36) MEN1KMT2ANPY4RNPY1RNPY2R
SCHEMBL19267172 0.80 NPY4R (0.33) MEN1KMT2AMAOAMAOBNPY4R

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
CN-1171116-A N-substituted glycine derivatives as factor Xa inhibitors CORVAS INT INC (US) 1998-01-21 — — CN disclosed
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