SCHEMBL8865404

SCHEMBL8865404

Cc1noc2c1CCCC2(O)c1ccoc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
BRD4 O60885 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL8866049 0.72
SCHEMBL8865352 0.64 SIGMAR1 (0.31)
SCHEMBL3951279 0.60
SCHEMBL8865954 0.58 BRD4 (0.38) BRD4
SCHEMBL24715957 0.57 SLC6A4 (0.39) ALDH1A1MAPTGAA
SCHEMBL25602212 0.57 HRH1 (0.40) BRD4ALDH1A1
SCHEMBL12441799 0.55 OPRD1 (0.36) ALDH1A1
SCHEMBL12094403 0.53 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2MAPTLMNAGAA
SCHEMBL2142746 0.53
SCHEMBL2811402 0.52 HCAR2 (0.33) ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5604224-A NEURODEGENERATIVE DISORDERS STERLING WINTHROP INC. (US) 1997-02-18 US disclosed
US-5569655-A Substituted heterocyclylisoquinolinium salts and compositions and method of use thereof STERLING WINTHROP INC. (US) 1996-10-29 US disclosed
EP-0647641-A1 Substituted heterocyclylisoquinolinium salts and compositions and methods of usethereof STERLING WINTHROP INC. (US) 1995-04-12 EP disclosed