SCHEMBL20794591

SCHEMBL20794591

COC(=O)c1ccc(OCC(C)N)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
GAA P10253 1/20 0.59
TSHR P16473 1/20 0.59
RAB9A P51151 3/20 0.57
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
NPC1 O15118 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LOXL2 Q9Y4K0 1/20 0.50
STS P08842 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL20765902 0.86 MAPT (0.68) MAPTGAATSHRRAB9AALDH1A1
SCHEMBL27243771 0.85 MAPT (0.66) MAPTGAATSHRRAB9AALDH1A1
SCHEMBL8540479 0.83 MAPT (0.64) MAPTGAATSHRRAB9AALDH1A1
SCHEMBL6776836 0.83 MAPT (0.64) MAPTGAATSHRRAB9AALDH1A1
Hydrochloric Acid SCHEMBL7860367 0.83 MAPT (0.64) MAPTGAATSHRRAB9AALDH1A1
SCHEMBL5151818 0.83 MAPK1 (0.60) MAPTTSHRRAB9ALMNACA1
SCHEMBL5151823 0.83 MAPK1 (0.60) MAPTTSHRRAB9ALMNACA1
SCHEMBL10609453 0.83 PARP10 (0.62) MAPTALDH1A1LMNACA1CA2
Hydrochloric Acid SCHEMBL444911 0.83 MAPT (0.58) MAPTGAATSHRRAB9AALDH1A1
SCHEMBL9252696 0.82 MAPT (0.62) MAPTGAATSHRRAB9AALDH1A1

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-2019040106-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO disclosed