SCHEMBL7299989

SCHEMBL7299989

O=c1cc(CN2CCCCCC2)oc2ccccc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.75
ACHE P22303 1/20 0.64
ALDH1A1 P00352 6/20 0.57
LMNA P02545 4/20 0.57
HTT P42858 3/20 0.57
TSHR P16473 2/20 0.57
KDM4E B2RXH2 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
MAPK1 P28482 2/20 0.57
TP53 P04637 1/20 0.57
MAPT P10636 1/20 0.57
TLR9 Q9NR96 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
KMT2A Q03164 2/20 0.54
CYP11B1 P15538 2/20 0.54
CYP11B2 P19099 2/20 0.54
MEN1 O00255 1/20 0.54
HSD17B10 Q99714 1/20 0.54
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53

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
SCHEMBL17237763 1.00 SIGMAR1 (0.75) SIGMAR1ACHEALDH1A1LMNAHTT
SCHEMBL7298240 1.00 SIGMAR1 (0.75) SIGMAR1ACHEALDH1A1LMNAHTT
SCHEMBL7305898 0.98 SIGMAR1 (0.77) SIGMAR1ACHEALDH1A1LMNAHTT
SCHEMBL7299921 0.86 SIGMAR1 (1.00) SIGMAR1ACHEALDH1A1TSHRKDM4E
SCHEMBL7308430 0.86 SIGMAR1 (0.71) SIGMAR1ACHEALDH1A1LMNAHTT
SCHEMBL7294524 0.86 SIGMAR1 (0.76) SIGMAR1ACHEALDH1A1KDM4EMAPT
SCHEMBL8946216 0.84 SIGMAR1 (0.65) SIGMAR1ACHEALDH1A1LMNAHTT
SCHEMBL3605597 0.83 SIGMAR1 (0.76) SIGMAR1ALDH1A1LMNAHTTTSHR
SCHEMBL30311216 0.82 SIGMAR1 (0.59) SIGMAR1ACHEALDH1A1LMNAHTT
SCHEMBL7302267 0.81 SIGMAR1 (0.71) SIGMAR1ACHEALDH1A1KDM4EMAPT

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
US-5519023-A SCHIZOPHRENIA ADIR ET COMPAGNIE (FR) 1996-05-21 US disclosed
EP-0580503-B1 Aminoalkylchromones, process for their preparation and compositions containing them ADIR (FR) 1995-06-14 EP disclosed
EP-0580503-A1 Aminoalkylchromones, process for their preparation and compositions containing them ADIR ET COMPAGNIE (FR) 1994-01-26 EP disclosed