SCHEMBL7684879

SCHEMBL7684879

CC1=CC(O)CC(c2cccc(Cl)c2)N1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.42
PDE5A O76074 1/20 0.40
SLC9A1 P19634 1/20 0.40
MAOA P21397 4/20 0.39
MAOB P27338 4/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KIF11 P52732 2/20 0.38
GRIN2B Q13224 1/20 0.38
CHRNA7 P36544 1/20 0.37
CCR1 P32246 1/20 0.37
USP2 O75604 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
SCHEMBL7684882 1.00 RIPK1 (0.42) RIPK1PDE5ASLC9A1MAOAMAOB
SCHEMBL7589602 0.81 CHRNA7 (0.45) RIPK1PDE5ASLC9A1MAOAMAOB
SCHEMBL7589609 0.81 CHRNA7 (0.45) RIPK1PDE5ASLC9A1MAOAMAOB
SCHEMBL7592025 0.77 MAOA (0.44) RIPK1PDE5AMAOAMAOBHTT
SCHEMBL7592028 0.77 MAOA (0.44) RIPK1PDE5AMAOAMAOBHTT
SCHEMBL7595211 0.66 MAPT (0.40) SLC9A1HTTMEN1ALDH1A1MAPT
SCHEMBL7595212 0.66 MAPT (0.40) SLC9A1HTTMEN1ALDH1A1MAPT
SCHEMBL20835380 0.66 FFAR2 (0.51) RIPK1PDE5ASLC9A1MAOAMAOB
SCHEMBL24737484 0.65 SLC9A1 (0.64) SLC9A1MEN1ALDH1A1LMNAMAPT
SCHEMBL31684359 0.65 SLC9A1 (0.64) SLC9A1MEN1ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6451789-B1 CENTRAL NERVOUS SYSTEM DISORDERS; COGNITION ACTIVATORS LES LABORTOIRES SERVIER (FR) 2002-09-17 US disclosed
US-6323222-B1 COGNITION ACTIVATORS, ALZHEIMER*S DISEASE AND ENZYME INHIBITORS ADIR ET COMPAGNIE (FR) 2001-11-27 US disclosed