SCHEMBL7047857

SCHEMBL7047857

Cc1ccc(CCC(N)[C@@H](O)[C@@H](N)Cc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.52
METAP1 P53582 2/20 0.52
CSNK1E P49674 1/20 0.46
MMP8 P22894 3/20 0.44
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LAP3 P28838 3/20 0.41
ANPEP P15144 3/20 0.41
RNPEP Q9H4A4 1/20 0.41
DNPEP Q9ULA0 1/20 0.41
SLC6A2 P23975 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
ERAP1 Q9NZ08 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL7334290 0.91 CSNK1E (0.49) METAP2METAP1CSNK1ELAP3ANPEP
SCHEMBL7050427 0.85 SIGMAR1 (0.43) METAP2METAP1CSNK1ELAP3ANPEP
SCHEMBL7052637 0.85 METAP2 (0.46) METAP2METAP1CSNK1EANPEPERAP1
SCHEMBL7092250 0.80 EPHX1 (0.58) CSNK1ELAP3ANPEPSLC6A2TAAR1
SCHEMBL7092247 0.80 EPHX1 (0.58) CSNK1ELAP3ANPEPSLC6A2TAAR1
Hydrochloric Acid SCHEMBL8535481 0.78 METAP2 (0.53) METAP2METAP1TDP1ANPEPTAAR1
SCHEMBL7054865 0.78 TAAR1 (0.43) METAP2METAP1CSNK1ELAP3ANPEP
SCHEMBL7342879 0.78 TACR1 (0.53) CSNK1ELAP3ANPEPRNPEPDNPEP
SCHEMBL18063343 0.77 TDP1 (0.51) METAP2METAP1MMP8TDP1L3MBTL1
SCHEMBL7051572 0.77 TAAR1 (0.46) METAP2METAP1CSNK1ESLC6A2TAAR1

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