SCHEMBL7052637

SCHEMBL7052637

NC(CCc1ccc(F)cc1)[C@@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.46
METAP1 P53582 1/20 0.46
CSNK1E P49674 1/20 0.42
F2RL1 P55085 1/20 0.41
ANPEP P15144 2/20 0.41
ERAP1 Q9NZ08 2/20 0.41
ERAP2 Q6P179 1/20 0.41
SLC15A1 P46059 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
TRPA1 O75762 1/20 0.39
EPHX1 P07099 1/20 0.39
MC4R P32245 1/20 0.39
MC3R P41968 1/20 0.39

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
SCHEMBL7340739 0.91 EPHX1 (0.47) CSNK1EANPEPSLC15A1ALDH1A1PPARG
SCHEMBL7054865 0.87 TAAR1 (0.43) METAP2METAP1CSNK1EANPEPERAP1
SCHEMBL7051572 0.85 TAAR1 (0.46) METAP2METAP1CSNK1ESLC15A1PPARG
SCHEMBL7047857 0.85 METAP2 (0.52) METAP2METAP1CSNK1EANPEPERAP1
SCHEMBL7050427 0.85 SIGMAR1 (0.43) METAP2METAP1CSNK1EANPEPERAP1
SCHEMBL7092250 0.80 EPHX1 (0.58) CSNK1EANPEPSLC15A1KDM4ETRPA1
SCHEMBL7092247 0.80 EPHX1 (0.58) CSNK1EANPEPSLC15A1KDM4ETRPA1
Hydrochloric Acid SCHEMBL8535481 0.78 METAP2 (0.53) METAP2METAP1ANPEPERAP1ERAP2
SCHEMBL7050872 0.77 IDO1 (0.50) METAP2CSNK1EMEN1KMT2AALDH1A1
SCHEMBL6445044 0.76 EPHX1 (0.58) CSNK1EANPEPSLC15A1KDM4ETRPA1

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