SCHEMBL15510563

SCHEMBL15510563

NC1=N[C@@]2(CO1)c1cc(-c3cccnc3F)ccc1Oc1ncccc12

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.77
KCNH2 Q12809 5/20 0.77
CTSD P07339 6/20 0.73

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
SCHEMBL3273353 1.00 BACE1 (0.77) BACE1KCNH2CTSD
SCHEMBL2524437 0.91 BACE1 (0.79) BACE1KCNH2CTSD
SCHEMBL15509661 0.91 BACE1 (0.79) BACE1KCNH2CTSD
SCHEMBL2371763 0.90 BACE1 (0.71) BACE1KCNH2CTSD
SCHEMBL15510045 0.89 BACE1 (0.72) BACE1KCNH2CTSD
SCHEMBL1991992 0.89 BACE1 (0.78) BACE1KCNH2CTSD
SCHEMBL1991996 0.89 BACE1 (0.78) BACE1KCNH2CTSD
SCHEMBL2384399 0.88 BACE1 (0.72) BACE1KCNH2CTSD
SCHEMBL15509630 0.88 BACE1 (0.85) BACE1KCNH2CTSD
SCHEMBL15510088 0.87 BACE1 (0.77) BACE1KCNH2CTSD

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-2328903-B1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2014-03-05 EP disclosed