SCHEMBL21118353

SCHEMBL21118353

CC(CCCCI)c1nc2ccccc2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 3/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
AAK1 Q2M2I8 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
PSMB8 P28062 1/20 0.35
GAA P10253 2/20 0.35
ALOX15 P16050 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSF1 Q00613 2/20 0.34

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
SCHEMBL19241750 0.87 MAPT (0.42) MAPTNPC1RAB9ALMNATP53
SCHEMBL22473985 0.85 MAPT (0.44) MAPTNPC1RAB9ALMNATP53
SCHEMBL27996129 0.85 MAPT (0.42) MAPTNPC1RAB9ALMNATP53
SCHEMBL25775949 0.81 NPC1 (0.44) MAPTNPC1RAB9ALMNATP53
SCHEMBL15501219 0.81 HSF1 (0.39) MAPTNPC1RAB9ALMNATP53
SCHEMBL9963730 0.78 RAB9A (0.47) MAPTNPC1RAB9ALMNATP53
SCHEMBL13767905 0.78 RAB9A (0.47) MAPTNPC1RAB9ALMNATP53
SCHEMBL86097 0.73 MAPT (0.48) MAPTNPC1RAB9ALMNATP53
SCHEMBL2147325 0.73 MAPT (0.48) MAPTNPC1RAB9ALMNATP53
SCHEMBL21348079 0.72 TAAR1 (0.47) MAPTNPC1RAB9ALMNATP53

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-3115362-B1 PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONIST SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (CN) 2019-06-12 EP disclosed