SCHEMBL8866752

SCHEMBL8866752

COc1ccc2c3ccc(OC)cc3n(CCCCC(N)=O)c2c1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 13/20 0.71
▸ HASPIN Q8TF76 4/20 0.56
▸ CNR1 P21554 1/20 0.52
▸ CNR2 P34972 1/20 0.52
▸ PLA2G2A P14555 2/20 0.51
▸ PSEN1 P49768 1/20 0.48
▸ PSEN2 P49810 1/20 0.48
▸ APH1B Q8WW43 1/20 0.48
▸ NCSTN Q92542 1/20 0.48
▸ APH1A Q96BI3 1/20 0.48
▸ PSENEN Q9NZ42 1/20 0.48

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
SCHEMBL23150414 0.84 DYRK1A (1.00) DYRK1AHASPIN
SCHEMBL23150385 0.83 DYRK1A (1.00) DYRK1AHASPIN
SCHEMBL30772963 0.83 DYRK1A (0.60) DYRK1AHASPINCNR1CNR2PLA2G2A
SCHEMBL20536528 0.83 DYRK1A (0.60) DYRK1AHASPINCNR1CNR2PLA2G2A
SCHEMBL8867041 0.82 DYRK1A (0.58) DYRK1AHASPINCNR1CNR2PSEN1
SCHEMBL21393273 0.80 DYRK1A (1.00) DYRK1AHASPIN
SCHEMBL8866663 0.79 DYRK1A (0.50) DYRK1AHASPINCNR1CNR2PLA2G2A
SCHEMBL30712051 0.79 MTNR1A (0.68) DYRK1APLA2G2A
SCHEMBL13986773 0.79 DYRK1A (0.52) DYRK1AHASPINCNR1CNR2PSEN1
Hydrochloric Acid SCHEMBL8757541 0.79 HASPIN (0.69) DYRK1AHASPIN

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
US-5677328-A SLEEP DISORDERS; PSYCHOLOGICAL DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 1997-10-14 — — US disclosed
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