SCHEMBL27477488

SCHEMBL27477488

COC(=O)C(N)(CC(=O)OC(C)(C)C)c1ccc(N)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
ESRRG P62508 1/20 0.35
DGAT1 O75907 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
BRS3 P32247 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PPIB P23284 1/20 0.33
PPIA P62937 1/20 0.33
PPID Q08752 1/20 0.33
PPIG Q13427 1/20 0.33
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
KCNN4 O15554 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
SCHEMBL1824580 0.77 CYP3A4 (0.38) ESRRGDGAT1ALDH1A1HPGDMAPK1
SCHEMBL27734340 0.77 MEN1 (0.51) EPHX2MAPTALDH1A1MEN1CYP1A2
SCHEMBL27734342 0.75 MEN1 (0.49) EPHX2MAPTALDH1A1MAPK1MEN1
SCHEMBL27644513 0.74 CYP1A2 (0.43) NPC1MAPTRAB9ACACNA1BMEN1
SCHEMBL3568477 0.73 CA1 (0.37) MAPTALDH1A1MEN1KMT2A
SCHEMBL17825682 0.73 CYP2C19 (0.47) MAPTKCNN4MEN1CYP1A2KMT2A
SCHEMBL2795231 0.72 MIF (0.42) MAPTMEN1CYP1A2KMT2A
SCHEMBL23094097 0.72 MAPT (0.47) MAPTKCNN4CYP1A2KMT2A
SCHEMBL1823948 0.71 CA2 (0.35) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL8395320 0.71 DGAT1 (0.47) DGAT1

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
CN-1310169-A Anils with nitric oxide synzyme inhibiting function SHUGAI SEIYAKU K K (JP) 2001-08-29 CN disclosed
CN-1172473-A Aniline derivatives having nitric oxide synthase inhibitory activity CHUGAI PHARMACEUTICAL CO LTD (JP) 1998-02-04 CN disclosed