SCHEMBL8668624

SCHEMBL8668624

CC(=O)Nc1ccc(Br)c2c1CC(OC(C)=O)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.40
CYP1A2 P05177 1/20 0.40
SLC18A3 Q16572 2/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
IL1RN P18510 1/20 0.32
ERAP2 Q6P179 1/20 0.32
ERAP1 Q9NZ08 1/20 0.32
ADRA2A P08913 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL4827684 0.83 SLC18A3 (0.40) RXFP1SLC18A3CA1CA2CA9
SCHEMBL8670333 0.78 NPC1 (0.47) SLC18A3ALDH1A1NPC1RAB9AADRA2A
SCHEMBL8670702 0.75 NPC1 (0.40) RXFP1CYP1A2SLC18A3CA1CA2
SCHEMBL6674584 0.74 RXFP1 (0.51) RXFP1CA1CA2CA9ALDH1A1
SCHEMBL30567319 0.74 RXFP1 (0.51) RXFP1CA1CA2CA9ALDH1A1
SCHEMBL2952459 0.74 RXFP1 (0.51) RXFP1CA1CA2CA9ALDH1A1
SCHEMBL8668258 0.73 MAPT (0.38) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL6785452 0.68 RXFP1 (0.44) RXFP1CA1CA2CA9ALDH1A1
SCHEMBL7983593 0.67 RXFP1 (0.43) RXFP1CA1CA2CA9LMNA
SCHEMBL6609264 0.66 RXFP1 (0.49) RXFP1CA1CA2CA9ALDH1A1

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-5721234-A TREATING CONVULSIONS, ANXIETY, CEREBRAL HYPOXIA/ISCHEMIA, PARKINSON*S DISEASE WARNER-LAMBERT COMPANY (US) 1998-02-24 US disclosed
WO-1996017832-A1 NOVEL GLUTAMATE RECEPTOR ANTAGONISTS: FUSED CYCLOALKYLQUINOXALINEDIONES WARNER-LAMBERT COMPANY (US) 1996-06-13 WO disclosed