SCHEMBL9700487

SCHEMBL9700487

COc1ccccc1N1CCN(CCCC2CCc3onc(-c4ccc(F)cc4)c3C2=O)C(I)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.43
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
DRD2 P14416 4/20 0.40
DRD4 P21917 3/20 0.40
DRD3 P35462 2/20 0.40
SIGMAR1 Q99720 1/20 0.39
THRB P10828 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HTR2A P28223 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL9701642 0.88 HTR2C (0.43) HTR2CMAPTPOLBDRD2DRD4
SCHEMBL9024113 0.88 HTR2C (0.54) HTR2CPOLBDRD2DRD4DRD3
SCHEMBL9687660 0.82 HTR2C (0.56) HTR2CDRD2DRD4DRD3SIGMAR1
Hydrochloric Acid SCHEMBL9023938 0.81 HTR2C (0.56) HTR2CDRD2DRD4DRD3SIGMAR1
SCHEMBL9474916 0.81 HTR2C (0.53) HTR2CMAPTDRD2DRD4SIGMAR1
Hydrochloric Acid SCHEMBL9445171 0.80 HTR2C (0.53) HTR2CMAPTDRD2DRD4SIGMAR1
SCHEMBL9701571 0.78 HTR2C (0.34) HTR2CDRD2HTR1AKDM4EHTR2A
SCHEMBL9688546 0.78 HTR2C (0.56) HTR2CDRD2DRD4DRD3SIGMAR1
SCHEMBL9024747 0.77 HTR2C (0.57) HTR2CDRD2DRD4DRD3SIGMAR1
Hydrochloric Acid SCHEMBL9023951 0.77 HTR2C (0.55) HTR2CDRD2DRD4DRD3SIGMAR1

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 disclosed