SCHEMBL7054865

SCHEMBL7054865

NC(CCc1ccccc1F)[C@@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
CSNK1E P49674 1/20 0.41
KMT2A Q03164 1/20 0.40
SLC15A1 P46059 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
METAP2 P50579 2/20 0.39
METAP1 P53582 2/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
EPHX1 P07099 1/20 0.38
PTPN1 P18031 1/20 0.38
LAP3 P28838 4/20 0.37
ANPEP P15144 3/20 0.37
RNPEP Q9H4A4 1/20 0.37
DNPEP Q9ULA0 1/20 0.37
AOC3 Q16853 1/20 0.37
ALPI P09923 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL7052637 0.87 METAP2 (0.46) CSNK1EKMT2ASLC15A1METAP2METAP1
SCHEMBL7051572 0.81 TAAR1 (0.46) TAAR1CSNK1ESLC15A1IDO1METAP2
SCHEMBL7340739 0.79 EPHX1 (0.47) TAAR1CSNK1ESLC15A1ALDH1A1EPHX1
SCHEMBL7092247 0.79 EPHX1 (0.58) TAAR1CSNK1ESLC15A1MAPK1EPHX1
SCHEMBL7092250 0.79 EPHX1 (0.58) TAAR1CSNK1ESLC15A1MAPK1EPHX1
SCHEMBL7050427 0.78 SIGMAR1 (0.43) CSNK1EKMT2ASLC15A1METAP2METAP1
SCHEMBL7047857 0.78 METAP2 (0.52) TAAR1CSNK1ESLC15A1METAP2METAP1
SCHEMBL7050872 0.75 IDO1 (0.50) TAAR1CSNK1EKMT2AIDO1TDO2
SCHEMBL3349203 0.75 MPO (0.46) TAAR1CSNK1EKMT2AANPEPERAP2
SCHEMBL7156004 0.75 METAP2 (0.57) KMT2AMETAP2METAP1

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