SCHEMBL7350967

SCHEMBL7350967

CC(=O)Nc1cc(O)c(C(=O)CCCCBr)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
SNCA P37840 1/20 0.38
POLB P06746 3/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL8971990 0.75 CA1 (0.39) CA1CA2CA9MAPTSNCA
SCHEMBL7351725 0.74 MTNR1B (0.43) MAPTHTTALDH1A1HSD17B10NPC1
SCHEMBL3298778 0.74 SMN1; SMN2 (0.54) CA1CA2CA9MAPTSNCA
SCHEMBL7360982 0.73 PGK1 (0.39) CA1CA2CA9MAPTHTT
SCHEMBL1134926 0.72 CA1 (0.53) CA1CA2CA9MAPTHTT
SCHEMBL29501816 0.72 CA1 (0.53) CA1CA2CA9MAPTHTT
SCHEMBL9972449 0.72 HTT (0.44) MAPTHTTALDH1A1HPGDALOX15
SCHEMBL7360659 0.71 AGER (0.40) CA1CA2CA9MAPTHTT
SCHEMBL18750435 0.70 CA1 (0.56) CA1CA2CA9MAPTHTT
SCHEMBL9116037 0.70 HMGCR (0.61) MAPTHTTALDH1A1HPGDALOX15

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
EP-0700383-B1 NOVEL 1-PHENYLALKANONE 5-HT 4? RECEPTOR LIGANDS SYNTEX INC (US) 1998-09-23 EP disclosed
US-5763458-A NERVOUS SYSTEM DISORDERS, ANXIETY, ANTIDEPRESSANTS AND COGNITION ACTIVATORS SYNTEX (U.S.A.) INC. (US) 1998-06-09 US disclosed
WO-1994027965-A1 NOVEL 1-PHENYLALKANONE 5-HT4 RECEPTOR LIGANDS SYNTEX (U.S.A.) INC. (US) 1994-12-08 WO disclosed