SCHEMBL7303340

SCHEMBL7303340

O=C(CN1CCN(Cc2cc(=O)c3ccccc3o2)CC1)C(Cl)c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.60
MAOB P27338 2/20 0.42
ALOX5 P09917 1/20 0.41
HRH1 P35367 1/20 0.41
ACHE P22303 2/20 0.41
TNKS O95271 1/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
HTT P42858 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 3/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR1A P08908 1/20 0.40

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
SCHEMBL7345625 0.81 SIGMAR1 (0.66) SIGMAR1ALOX5HRH1GAASMN1; SMN2
SCHEMBL7303325 0.78 SIGMAR1 (0.58) SIGMAR1MAOBACHECYP11B1CYP11B2
SCHEMBL8946216 0.76 SIGMAR1 (0.65) SIGMAR1MAOBACHECYP11B1CYP11B2
SCHEMBL7302990 0.76 SIGMAR1 (0.68) SIGMAR1ACHECYP11B1CYP11B2ALDH1A1
SCHEMBL7299921 0.76 SIGMAR1 (1.00) SIGMAR1MAOBACHECYP11B1CYP11B2
SCHEMBL8946230 0.75 SIGMAR1 (0.63) SIGMAR1MAOBACHECYP11B1CYP11B2
SCHEMBL7305898 0.75 SIGMAR1 (0.77) SIGMAR1MAOBACHECYP11B1CYP11B2
SCHEMBL7294524 0.74 SIGMAR1 (0.76) SIGMAR1ACHETNKSCYP11B1CYP11B2
SCHEMBL7294057 0.74 SIGMAR1 (0.71) SIGMAR1ALOX5HRH1ACHECYP11B1
SCHEMBL17237763 0.73 SIGMAR1 (0.75) SIGMAR1MAOBACHECYP11B1CYP11B2

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