SCHEMBL9768289

SCHEMBL9768289

O=C1Cc2cc(C(O)CN3CCC(Oc4ccccc4)CC3)ccc2N1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.57
DRD2 P14416 6/20 0.53
HTR1A P08908 2/20 0.53
HTR2A P28223 1/20 0.53
DRD4 P21917 4/20 0.48
DRD3 P35462 3/20 0.48
KDM1A O60341 1/20 0.45
KCNH2 Q12809 3/20 0.45
HTR7 P34969 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ATM Q13315 1/20 0.44
GRIN1 Q05586 2/20 0.43
GRIA1 P42261 1/20 0.41

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
SCHEMBL9768337 0.86 GRIN2B (0.51) GRIN2BDRD2HTR1AHTR2AKDM1A
SCHEMBL10838656 0.82 GRIN2B (0.51) GRIN2BDRD2HTR1AHTR2ADRD4
SCHEMBL27076186 0.81 GRIN2B (0.56) GRIN2BDRD2HTR1AHTR2AKDM1A
SCHEMBL27076422 0.81 GRIN2B (0.56) GRIN2BDRD2HTR1AHTR2AKDM1A
SCHEMBL27076244 0.81 GRIN2B (0.56) GRIN2BDRD2HTR1AHTR2AKDM1A
SCHEMBL27076418 0.81 GRIN2B (0.56) GRIN2BDRD2HTR1AHTR2AKDM1A
SCHEMBL29960317 0.81 GRIN2B (0.56) GRIN2BDRD2HTR1AHTR2AKDM1A
SCHEMBL29961050 0.81 GRIN2B (0.56) GRIN2BDRD2HTR1AHTR2AKDM1A
SCHEMBL27076177 0.81 GRIN2B (0.56) GRIN2BDRD2HTR1AHTR2AKDM1A
SCHEMBL8301786 0.78 HTR1A (0.53) GRIN2BDRD2HTR1AHTR2AKCNH2

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-5034401-A Cardiovascular disorders or antiischemia agents SYNTHELABO (FR) 1991-07-23 US claimed
US-5034401-A Cardiovascular disorders or antiischemia agents SYNTHELABO (FR) 1991-07-23 US disclosed