SCHEMBL1993237

SCHEMBL1993237

Cc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CCN=C(N)S3)c2)cn1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.64
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
BACE2 Q9Y5Z0 5/20 0.56

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
SCHEMBL1442061 0.90 BACE1 (0.67) BACE1BACE2
SCHEMBL1440658 0.90 BACE1 (0.67) BACE1BACE2
SCHEMBL1991566 0.89 BACE1 (0.69) BACE1BACE2
SCHEMBL10155190 0.80 BACE1 (0.82) BACE1BACE2
SCHEMBL3275857 0.80 BACE1 (0.82) BACE1BACE2
SCHEMBL3275862 0.80 BACE1 (0.82) BACE1BACE2
SCHEMBL1441003 0.80 BACE1 (0.54) BACE1BACE2
SCHEMBL4083365 0.80 BACE1 (0.72) BACE1
SCHEMBL4078021 0.78 BACE1 (1.00) BACE1NPC1RAB9ASMN1; SMN2BACE2
SCHEMBL12359052 0.78 BACE1 (1.00) BACE1NPC1RAB9ASMN1; SMN2BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2328903-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2011-06-08 EP claimed
WO-2010030954-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-03-18 WO claimed
EP-2328903-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2011-06-08 EP disclosed
WO-2010030954-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-03-18 WO disclosed