SCHEMBL26005676

SCHEMBL26005676

C=C(NCC(O)CNCCCCNCC(C)CNC(=O)OC(C)(C)C)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
ADRB2 P07550 1/20 0.37
HTR1A P08908 1/20 0.37
PCSK9 Q8NBP7 1/20 0.36
CA1 P00915 6/20 0.34
CA2 P00918 6/20 0.34
CA12 O43570 5/20 0.34
CA9 Q16790 5/20 0.34
CAPN1 P07384 1/20 0.32
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
CYP2D6 P10635 1/20 0.31
CA7 P43166 1/20 0.31

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
SCHEMBL26004691 0.85 MAOA (0.53) MAOAMAOBTDP1MEN1GAA
SCHEMBL30299043 0.85 MAOA (0.53) MAOAMAOBTDP1MEN1GAA
SCHEMBL13959822 0.80 MEN1 (0.54) MAOAMAOBTDP1MEN1GAA
SCHEMBL3013440 0.77 MEN1 (0.49) MAOAMAOBTDP1MEN1GAA
SCHEMBL13960156 0.77 MEN1 (0.46) MAOAMAOBTDP1MEN1GAA
SCHEMBL16379307 0.77 MEN1 (0.46) MAOAMAOBTDP1MEN1GAA
SCHEMBL1105702 0.75 PCSK9 (0.50) MAOAMAOBTDP1MEN1GAA
SCHEMBL570033 0.75 MEN1 (0.50) MAOAMAOBTDP1MEN1GAA
SCHEMBL23708981 0.74 ADRB2 (0.39) MAOAMAOBTDP1MEN1GAA
SCHEMBL3957007 0.73 MEN1 (0.45) MAOAMAOBTDP1MEN1GAA

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
WO-2023154818-A1 MUCOSAL ADMINISTRATION METHODS AND FORMULATIONS MODERNATX, INC. (US) 2023-08-17 WO disclosed