SCHEMBL28926367

SCHEMBL28926367

COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCCNC(=O)OC(C)(C)C

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.71
MEN1 O00255 3/20 0.71
HCRTR1 O43613 1/20 0.71
BMP1 P13497 1/20 0.62
TACR1 P25103 2/20 0.61
ACE P12821 1/20 0.59
NPBWR1 P48145 1/20 0.59
MCHR1 Q99705 1/20 0.59
CTSL P07711 2/20 0.58
CTSS P25774 1/20 0.58
CTSK P43235 1/20 0.58
MAPT P10636 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TP53 P04637 2/20 0.54
CCKBR P32239 1/20 0.54

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
SCHEMBL29972836 1.00 KMT2A (0.71) KMT2AMEN1HCRTR1BMP1TACR1
SCHEMBL29419166 0.89 TACR1 (0.65) KMT2AMEN1HCRTR1TACR1ACE
SCHEMBL7618821 0.88 ACE (0.68) KMT2AMEN1HCRTR1BMP1TACR1
SCHEMBL27332474 0.86 TACR1 (0.61) KMT2AMEN1HCRTR1TACR1ACE
SCHEMBL30841400 0.86 TACR1 (0.61) KMT2AMEN1HCRTR1TACR1ACE
SCHEMBL621684 0.86 TACR1 (0.78) KMT2AMEN1HCRTR1TACR1ACE
SCHEMBL1486155 0.86 TACR1 (0.78) KMT2AMEN1HCRTR1TACR1ACE
SCHEMBL5251038 0.86 TACR1 (0.78) KMT2AMEN1HCRTR1TACR1ACE
SCHEMBL29400174 0.86 TACR1 (0.78) KMT2AMEN1HCRTR1TACR1ACE
SCHEMBL13702222 0.86 TACR1 (0.62) TACR1CTSLCTSSCTSKMAPT

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-115385846-A Indole compound, preparation method and application thereof 复旦大学 2022-11-25 CN disclosed