SCHEMBL8150964

SCHEMBL8150964

CC(C)(C)OC(=O)NCC(=O)N[C@]1(C(=O)OC(=O)OC(C)(C)C)CCCN1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 1/20 0.33
NPFFR2 Q9Y5X5 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
EPHX1 P07099 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
CACNA1H O95180 1/20 0.30
CTSL P07711 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL8135439 1.00 NPFFR1 (0.33) NPFFR1NPFFR2MEN1ALDH1A1TSHR
SCHEMBL8135118 0.87 P2RX7 (0.31) MEN1KMT2AP2RX7
SCHEMBL7728931 0.77 HCRTR2 (0.34) MEN1ALDH1A1TSHRKMT2AEPHX1
SCHEMBL8149234 0.77 HCRTR2 (0.34) MEN1ALDH1A1TSHRKMT2AEPHX1
SCHEMBL8145398 0.75 EPHX1 (0.37) MEN1ALDH1A1TSHRKMT2AEPHX1
SCHEMBL7727796 0.71 P2RX7 (0.31) P2RX7
SCHEMBL9076329 0.70 MEN1 (0.33) NPFFR1NPFFR2MEN1ALDH1A1TSHR
SCHEMBL22874207 0.69 CACNA1H (0.38) NPFFR1NPFFR2MEN1ALDH1A1TSHR
SCHEMBL2224543 0.69
SCHEMBL21409026 0.69

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-2000001714-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-01-13 WO disclosed