SCHEMBL7048503

SCHEMBL7048503

COc1ccc(OC)c(CCC(N)[C@@H](O)[C@@H](N)Cc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.51
HTR2A P28223 2/20 0.49
ADRA1A P35348 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
AOC3 Q16853 1/20 0.44
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43

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
SCHEMBL7159796 0.83 TAAR1 (0.52) HTR2ATAAR1AOC3
SCHEMBL3350055 0.80 CAPN1 (0.50) CAPN1HTR2AADRA1ATAAR1MEN1
SCHEMBL8989272 0.78 ADRA1A (0.63) HTR2AADRA1ATAAR1AOC3HSD17B10
SCHEMBL7054865 0.74 TAAR1 (0.43) TAAR1AOC3KMT2A
SCHEMBL7048497 0.74 CAPN1 (0.48) CAPN1HTR2AADRA1ATAAR1AOC3
SCHEMBL3659272 0.73 HSD17B10 (0.57) HTR2AADRA1ATAAR1AOC3HSD17B10
SCHEMBL3659269 0.73 HSD17B10 (0.57) HTR2AADRA1ATAAR1AOC3HSD17B10
SCHEMBL5664114 0.72 MTNR1B (0.58) HTR2AADRA1ATAAR1MTNR1AMTNR1B
SCHEMBL11488471 0.72 HTR2A (0.56) CAPN1HTR2AADRA1ATAAR1HSD17B10
SCHEMBL3660479 0.71 HSD17B10 (0.62) HTR2AADRA1ATAAR1AOC3HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004502669-A 2004-01-29 JP claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed