SCHEMBL7302990

SCHEMBL7302990

O=c1cc(CN2CCN(Cc3ccc(Cl)cc3Cl)CC2)oc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.68
ALDH1A1 P00352 6/20 0.51
TSHR P16473 2/20 0.51
CYP2A13 Q16696 1/20 0.50
POLB P06746 2/20 0.46
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
ACHE P22303 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
HSD17B10 Q99714 1/20 0.45
HTR1A P08908 2/20 0.44
HTR2B P41595 1/20 0.44
COMT P21964 1/20 0.44
HTR7 P34969 1/20 0.43
HTR6 P50406 1/20 0.43

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
SCHEMBL7303325 0.88 SIGMAR1 (0.58) SIGMAR1ALDH1A1TSHRCYP2A13POLB
SCHEMBL7299921 0.81 SIGMAR1 (1.00) SIGMAR1ALDH1A1TSHRKDM4EACHE
SCHEMBL7303834 0.80 SIGMAR1 (0.77) SIGMAR1POLBACHECYP11B1CYP11B2
SCHEMBL7305898 0.80 SIGMAR1 (0.77) SIGMAR1ALDH1A1TSHRKDM4ETDP1
SCHEMBL8946184 0.79 SIGMAR1 (0.65) SIGMAR1ALDH1A1POLBKDM4EACHE
SCHEMBL7294524 0.79 SIGMAR1 (0.76) SIGMAR1ALDH1A1POLBKDM4EMAPT
SCHEMBL17237763 0.79 SIGMAR1 (0.75) SIGMAR1ALDH1A1TSHRKDM4ETDP1
SCHEMBL7298240 0.79 SIGMAR1 (0.75) SIGMAR1ALDH1A1TSHRKDM4ETDP1
SCHEMBL7299989 0.79 SIGMAR1 (0.75) SIGMAR1ALDH1A1TSHRKDM4ETDP1
SCHEMBL7345625 0.78 SIGMAR1 (0.66) SIGMAR1TDP1MAPK1HTR1AHTR2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5519023-A SCHIZOPHRENIA ADIR ET COMPAGNIE (FR) 1996-05-21 US claimed
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