SCHEMBL22600820

SCHEMBL22600820

COC(C(C)C(=O)N[C@H](C)Cc1ccccc1)C1CCCN1C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC2A1 P11166 1/20 0.40
MME P08473 1/20 0.40
ACE P12821 1/20 0.40

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
SCHEMBL26765974 1.00 NPC1 (0.44) NPC1RAB9ACHRNB4CHRNA3LMNA
SCHEMBL22810961 0.90 POLB (0.49) LMNAGAAKMT2AMMEACE
SCHEMBL2734908 0.90 POLB (0.49) LMNAGAAKMT2AMMEACE
SCHEMBL15313443 0.90 POLB (0.49) LMNAGAAKMT2AMMEACE
SCHEMBL21699252 0.90 POLB (0.49) LMNAGAAKMT2AMMEACE
SCHEMBL9892967 0.90 POLB (0.49) LMNAGAAKMT2AMMEACE
SCHEMBL19647312 0.89 GAA (0.54) LMNAGAA
SCHEMBL18912329 0.89 GAA (0.54) LMNAGAA
SCHEMBL18683750 0.87 NPC1 (0.41) NPC1RAB9ALMNAGAAMEN1
SCHEMBL22476513 0.85 GAA (0.42) GAAACE

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-2020219770-A1 ANTI-CD117 ANTIBODIES AND USES THEREOF Magenta Therapeutics, Inc. (US) 2020-10-29 WO disclosed