SCHEMBL8808948

SCHEMBL8808948

CC(=O)O[C@@H]1OCC[C@@H]1NC[C@@H](CC(C)C)NC(=O)c1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 6/20 0.44
CAPNS1 P04632 1/20 0.43
CCR1 P32246 1/20 0.41
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.36
CHRM1 P11229 2/20 0.36
P2RX7 Q99572 1/20 0.36
DRD2 P14416 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM5 P08912 1/20 0.35

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
SCHEMBL8407947 0.90 CAPN1 (0.44) CAPN1CAPNS1NPC1RAB9AMAPT
SCHEMBL8807996 0.85 CAPN1 (0.50) CAPN1CAPNS1CCR1GAANPC1
SCHEMBL8810066 0.84 CAPN1 (0.47) CAPN1CAPNS1NPC1RAB9AMAPT
SCHEMBL8808955 0.84 CAPN1 (0.62) CAPN1CAPNS1CCR1GAAATM
SCHEMBL8808938 0.84 CAPN1 (0.62) CAPN1CAPNS1CCR1GAAATM
SCHEMBL8809938 0.83 CAPN1 (0.41) CAPN1CAPNS1GAA
SCHEMBL8404222 0.82 CAPN1 (0.47) CAPN1CAPNS1CCR1NPC1RAB9A
SCHEMBL8406495 0.81 CAPN1 (0.51) CAPN1CAPNS1
SCHEMBL8404245 0.78 CAPN1 (0.42) CAPN1CAPNS1SMN1; SMN2
SCHEMBL8811439 0.77 CAPN1 (0.44) CAPN1CAPNS1

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
EP-0810221-A1 OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 1997-12-03 EP disclosed