SCHEMBL8049758

SCHEMBL8049758

CCOC(=O)C(CC(C)C)c1cc(-c2ccc(C)cc2)cc(C2CCCN(C(CC)CC)C2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PROKR1 Q8TCW9 7/20 0.35
NPC1 O15118 2/20 0.34
HPGD P15428 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL10129846 0.91 PSEN1 (0.43) SLC6A2SLC6A4SLC6A3PROKR1DRD2
SCHEMBL478267 0.91 PSEN1 (0.47) SLC6A4PROKR1ALDH1A1PSEN1PSEN2
SCHEMBL478109 0.83 PSEN1 (0.45) SMN1; SMN2ALDH1A1PSEN1PSEN2APH1B
SCHEMBL8061191 0.83 PSEN1 (0.45) SMN1; SMN2ALDH1A1PSEN1PSEN2APH1B
SCHEMBL8071974 0.83 PSEN1 (0.45) SMN1; SMN2ALDH1A1PSEN1PSEN2APH1B
SCHEMBL8054379 0.83 PSEN1 (0.46) SLC6A4PROKR1ALDH1A1PSEN1PSEN2
SCHEMBL8049173 0.83 PSEN1 (0.46) SLC6A4PROKR1ALDH1A1PSEN1PSEN2
SCHEMBL478228 0.83 PSEN1 (0.46) SLC6A4PROKR1ALDH1A1PSEN1PSEN2
SCHEMBL478140 0.81 PSEN1 (0.44) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL8080527 0.81 PSEN1 (0.44) ALDH1A1PSEN1PSEN2APH1BNCSTN

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-2009052126-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF γ-SECRETASE JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO disclosed