SCHEMBL7963874

SCHEMBL7963874

O=S(=O)(Oc1ccc2cc(C3=CCN(Cc4ccccc4)CC3)ccc2c1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
DRD2 P14416 7/20 0.47
DRD4 P21917 5/20 0.47
HDAC4 P56524 1/20 0.45
NAMPT P43490 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HTR1A P08908 3/20 0.43
SIGMAR1 Q99720 2/20 0.43
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
HTR6 P50406 1/20 0.42
HTR2A P28223 1/20 0.42
DRD3 P35462 3/20 0.42
IKZF1 Q13422 1/20 0.42
MAPK1 P28482 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
SCHEMBL7970649 0.84 MEN1 (0.48) MEN1KMT2ADRD2DRD4HDAC4
SCHEMBL7969931 0.82 MEN1 (0.65) MEN1KMT2ADRD2DRD4KDM4E
SCHEMBL6042349 0.82 SIGMAR1 (0.59) MEN1KMT2ADRD2DRD4HDAC4
SCHEMBL7963190 0.79 MEN1 (0.53) MEN1KMT2ADRD2DRD4HDAC4
SCHEMBL7964854 0.78 GAA (0.52) MEN1KMT2ADRD2DRD4HDAC4
SCHEMBL8672493 0.77 HTR6 (0.42) DRD2DRD4HDAC4NAMPTKDM4E
SCHEMBL1470365 0.75 DRD4 (0.52) MEN1KMT2ADRD2DRD4HDAC4
SCHEMBL238334 0.75 MEN1 (0.66) MEN1KMT2ADRD2DRD4HDAC4
SCHEMBL6585625 0.74 DRD4 (0.63) MEN1KMT2ADRD2DRD4HDAC4
SCHEMBL2395932 0.74 DRD4 (0.67) DRD2DRD4HDAC4NAMPTGAA

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-6303627-B1 FOR THERAPY OF PHYSIOLOGICAL AND PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY 2001-10-16 US disclosed
EP-0965587-A1 Tetrahydropyridinyl- and piperidinyl Inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1999-12-22 EP disclosed