SCHEMBL9701571

SCHEMBL9701571

O=C1c2c(-c3ccccc3)noc2CCC1CCCN1CCC(c2ccc(F)cc2)CC1I

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.34
DRD2 P14416 6/20 0.34
HTR2A P28223 5/20 0.34
SLC6A3 Q01959 2/20 0.31
HTR1A P08908 2/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL9025209 0.87 DRD2 (0.43) HTR2CDRD2HTR2AHTR1A
Hydrochloric Acid SCHEMBL9024139 0.86 DRD2 (0.43) HTR2CDRD2HTR2AHTR1A
Hydrochloric Acid SCHEMBL9700480 0.85 HTR2C (0.43) HTR2CDRD2HTR2AKDM4E
SCHEMBL9689077 0.79 DRD2 (0.43) HTR2CDRD2HTR2AHTR1A
SCHEMBL9700487 0.78 HTR2C (0.43) HTR2CDRD2HTR2AHTR1AKDM4E
SCHEMBL9445210 0.76 DCTPP1 (0.39) DRD2HTR2AHTR1A
SCHEMBL9023838 0.75 HTR2C (0.55) HTR2CDRD2HTR2AKDM4E
SCHEMBL9023761 0.75 MAPK10 (0.40) DRD2
Hydrochloric Acid SCHEMBL9023939 0.75 HTR2C (0.54) HTR2CDRD2HTR2AKDM4E
SCHEMBL9689848 0.74 NR4A2 (0.41) HTR2CDRD2HTR2AHTR1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0474012-A1 6,7-Dihydro-3-phenyl-1,2-benzisoxazol-4(5H)-ones and -ols, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-03-11 EP claimed