SCHEMBL7922489

SCHEMBL7922489

NCNC1=NC2(CCc3cc(Br)ccc3C2)CN1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.32
ASIC3 Q9UHC3 1/20 0.32
BACE1 P56817 6/20 0.32
TDP2 O95551 1/20 0.30
APP P05067 2/20 0.30

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
SCHEMBL7926124 0.81 BACE1 (0.33) KDM1ABACE1
SCHEMBL12204239 0.81 ASIC3 (0.32) ASIC3
SCHEMBL7926460 0.80 BACE1 (0.38) KDM1AASIC3BACE1TDP2APP
SCHEMBL7924449 0.76 PNMT (0.32) BACE1
SCHEMBL7925938 0.75 BACE1 (0.39) KDM1AASIC3BACE1APP
SCHEMBL7925260 0.70 ASIC3 (0.42) KDM1AASIC3BACE1TDP2APP
SCHEMBL7919559 0.67 TAAR1 (0.52) BACE1
SCHEMBL7922745 0.67 TAAR1 (0.52) BACE1
SCHEMBL7923623 0.65 PNMT (0.42) KDM1AASIC3BACE1TDP2APP
SCHEMBL16605597 0.63 HSD17B3 (0.42) KDM1AASIC3BACE1TDP2

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
WO-2010042473-A1 BIARYL SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS SCHERING CORPORATION (US) 2010-04-15 WO disclosed