SCHEMBL8430800

SCHEMBL8430800

Fc1cc(F)cc(/C=C/C2=CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 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
SCHEMBL8430804 1.00 KDM4E (0.53) KDM4ESMN1; SMN2MEN1KMT2ADRD2
Oxalic Acid SCHEMBL8430748 0.94 KDM4E (0.48) KDM4ESMN1; SMN2
Oxalic Acid SCHEMBL8430749 0.94 KDM4E (0.48) KDM4ESMN1; SMN2
SCHEMBL8128377 0.88 SMN1; SMN2 (0.60) KDM4ESMN1; SMN2KMT2ADRD2
SCHEMBL8128381 0.88 SMN1; SMN2 (0.60) KDM4ESMN1; SMN2KMT2ADRD2
SCHEMBL8429503 0.86 KDM4E (0.64) KDM4ESMN1; SMN2KMT2ADRD2DRD4
SCHEMBL8429501 0.86 KDM4E (0.64) KDM4ESMN1; SMN2KMT2ADRD2DRD4
SCHEMBL8429460 0.86 KDM4E (0.60) KDM4ESMN1; SMN2MEN1KMT2ADRD2
SCHEMBL8429465 0.86 KDM4E (0.60) KDM4ESMN1; SMN2MEN1KMT2ADRD2
Hydrochloric Acid SCHEMBL8428831 0.85 KDM4E (0.66) KDM4ESMN1; SMN2KMT2ADRD2DRD4

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
US-5861407-A Tetrahydropyridine derivatives as dopamine receptor subtype ligands MERCK SHARP & DOHME, LTD. (GB) 1999-01-19 US disclosed