SCHEMBL11115633

SCHEMBL11115633

CC(C)(N)CC(=O)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
PTPN1 P18031 1/20 0.52
RAB9A P51151 1/20 0.52
HTR7 P34969 1/20 0.50
PLOD2 O00469 1/20 0.50
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
LMNA P02545 1/20 0.43
HSD11B1 P28845 3/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
S1PR1 P21453 1/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL11989218 0.84 NPC1 (0.55) NPC1PTPN1RAB9AHTR7PLOD2
SCHEMBL23891716 0.81 NPC1 (0.58) NPC1PTPN1RAB9AHTR7PLOD2
SCHEMBL3754394 0.80 MAPT (0.52) NPC1PTPN1RAB9APLOD2CES1
SCHEMBL19619388 0.80 MAPT (0.52) NPC1PTPN1RAB9APLOD2CES1
Hydrochloric Acid SCHEMBL10431496 0.78 MAPT (0.50) NPC1PTPN1RAB9APLOD2CES1
SCHEMBL11218710 0.78 PTPN1 (0.58) NPC1PTPN1RAB9AHTR7PLOD2
SCHEMBL2074862 0.78 PLOD2 (0.60) NPC1PTPN1RAB9AHTR7PLOD2
SCHEMBL7793888 0.77 MAPT (0.33) NPC1RAB9ACES1LMNAKMT2A
SCHEMBL29568260 0.77 NPC1 (0.47) NPC1PTPN1RAB9AHTR7PLOD2
SCHEMBL10770849 0.75 ALDH1A1 (0.60) RAB9AHSD11B1CA1CA2KMT2A

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-0060954-B1 DERIVATIVES OF FLUOROPHENACYL AMINES AND THEIR THERAPEUTIC USE LABORATOIRE L. LAFON Société anonyme dite: (FR) 1984-08-15 EP claimed