SCHEMBL27484587

SCHEMBL27484587

CC(C)CN[C@@H](CCCNC(=N)N)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ NPY4R P50391 9/20 0.39
▸ NPY1R P25929 6/20 0.39
▸ NPY2R P49146 4/20 0.36
▸ NPY5R Q15761 4/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ NPSR1 Q6W5P4 3/20 0.36
▸ ATM Q13315 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ MAPT P10636 2/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ ABCB1 P08183 1/20 0.34
▸ NOS1 P29475 2/20 0.34
▸ NOS3 P29474 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ ITGB3 P05106 1/20 0.33
▸ ITGA2B P08514 1/20 0.33

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
SCHEMBL27484588 1.00 MEN1 (0.40) MEN1KMT2AGAANPY4RNPY1R
SCHEMBL13863591 0.83 MEN1 (0.42) MEN1KMT2AGAANPY4RNPY1R
SCHEMBL3693813 0.82 MEN1 (0.41) MEN1KMT2AGAANPY4RNPY1R
SCHEMBL2635346 0.81 MEN1 (0.43) MEN1KMT2AGAANPY4RNPY1R
SCHEMBL27468053 0.81 MEN1 (0.39) MEN1KMT2AGAANPY4RNPY1R
SCHEMBL27468052 0.81 MEN1 (0.39) MEN1KMT2AGAANPY4RNPY1R
SCHEMBL27325461 0.81 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RITGB3
SCHEMBL14199862 0.81 NPY4R (0.40) NPY4RNPY1RNPY2RNPY5RMAPT
SCHEMBL10676657 0.80 TDP1 (0.42) MEN1KMT2AGAATDP1NPSR1
SCHEMBL27508415 0.79 HDAC4 (0.39) MEN1KMT2AGAANPY4RNPY1R

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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