SCHEMBL13984216

SCHEMBL13984216

C[C@@H]1CCN(c2ccc(Br)cn2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
PDE10A Q9Y233 1/20 0.46
AKR1C3 P42330 1/20 0.46
SMPD3 Q9NY59 2/20 0.44
ADRA1A P35348 1/20 0.43
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 2/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL21861463 1.00 MAPT (0.48) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14347211 1.00 MAPT (0.48) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14127793 0.90 MAPT (0.57) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25686054 0.83 CNR2 (0.51) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18752408 0.82 GPR119 (0.49) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15205475 0.82 GRIN2D (0.48) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17316509 0.82 GRIN2D (0.48) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17316304 0.82 GRIN2D (0.48) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13724794 0.82 GPR119 (0.49) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18752394 0.82 GPR119 (0.49) MAPTGRIN2DGRIN3BGRIN1GRIN2A

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-2008156718-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC. (US) 2008-12-24 WO disclosed