SCHEMBL7304042

SCHEMBL7304042

COc1ccc(CN2CCN(Cc3cc(=O)c4ccccc4o3)CC2)c(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.60
HTR1A P08908 3/20 0.56
DRD2 P14416 3/20 0.56
HTR2B P41595 3/20 0.56
POLB P06746 2/20 0.56
KDM4E B2RXH2 7/20 0.52
ALDH1A1 P00352 4/20 0.52
MAPT P10636 1/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
GAA P10253 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL7298376 0.92 SIGMAR1 (0.60) SIGMAR1HTR1ADRD2HTR2BKDM4E
SCHEMBL7299897 0.87 SIGMAR1 (0.62) SIGMAR1HTR1ADRD2HTR2BKDM4E
SCHEMBL7294373 0.85 SIGMAR1 (0.60) SIGMAR1HTR1ADRD2HTR2BKDM4E
SCHEMBL466945 0.84 SIGMAR1 (0.76) SIGMAR1HTR1ADRD2HTR2BKDM4E
SCHEMBL7299375 0.81 SIGMAR1 (0.69) SIGMAR1HTR1ADRD2HTR2BPOLB
SCHEMBL3398900 0.81 HTR1A (0.65) SIGMAR1HTR1ADRD2HTR2BKDM4E
SCHEMBL8946184 0.78 SIGMAR1 (0.65) SIGMAR1HTR1ADRD2HTR2BPOLB
SCHEMBL7294524 0.78 SIGMAR1 (0.76) SIGMAR1HTR1ADRD2HTR2BPOLB
SCHEMBL7305898 0.76 SIGMAR1 (0.77) SIGMAR1HTR1AHTR2BKDM4EALDH1A1
SCHEMBL7302990 0.76 SIGMAR1 (0.68) SIGMAR1HTR1AHTR2BPOLBKDM4E

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