SCHEMBL21944472

SCHEMBL21944472

CC(C)CCC1NC(=O)C1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.53
ACHE P22303 2/20 0.53
PSEN1 P49768 4/20 0.39
PSEN2 P49810 4/20 0.39
APH1B Q8WW43 4/20 0.39
NCSTN Q92542 4/20 0.39
APH1A Q96BI3 4/20 0.39
PSENEN Q9NZ42 4/20 0.39
CCKBR P32239 1/20 0.38
IDO1 P14902 3/20 0.38
ELANE P08246 1/20 0.36
CTSL P07711 3/20 0.35
CTSK P43235 3/20 0.35
CTSV O60911 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSC P53634 1/20 0.35
CTSF Q9UBX1 1/20 0.35
TDO2 P48775 1/20 0.34
MCHR1 Q99705 1/20 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
SCHEMBL18686920 1.00 BCHE (0.53) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL18716356 0.82 BCHE (0.50) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL20556249 0.80 BCHE (0.52) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL4182846 0.78 BCHE (0.59) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL21338588 0.71 BCHE (0.52) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL17137316 0.71 BCHE (0.52) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL23995897 0.71 BCHE (0.62) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL17925924 0.71 BCHE (0.62) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL7087370 0.71 BCHE (0.51) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL4031189 0.71 BCHE (0.51) BCHEACHEPSEN1PSEN2APH1B

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-3150581-B1 PYRIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2020-04-15 EP disclosed