SCHEMBL8468658

SCHEMBL8468658

[CH2]CNC1CCC(C#N)(c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
HTR5A P47898 1/20 0.54
OPRM1 P35372 4/20 0.46
KDM1A O60341 1/20 0.46
OPRD1 P41143 1/20 0.45
OPRL1 P41146 3/20 0.43
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39

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
SCHEMBL8468660 1.00 MEN1 (0.61) MEN1KMT2AHTR5AOPRM1KDM1A
SCHEMBL3856093 0.85 MEN1 (0.68) MEN1KMT2AHTR5AOPRM1KDM1A
SCHEMBL7226427 0.82 MEN1 (0.65) MEN1KMT2AHTR5AOPRM1KDM1A
SCHEMBL7951355 0.82 MEN1 (0.65) MEN1KMT2AHTR5AOPRM1KDM1A
SCHEMBL7952672 0.82 MEN1 (0.65) MEN1KMT2AHTR5AOPRM1KDM1A
SCHEMBL3968577 0.81 MEN1 (0.56) MEN1KMT2AHTR5AOPRM1KDM1A
SCHEMBL14341350 0.81 MEN1 (0.56) MEN1KMT2AHTR5AOPRM1KDM1A
SCHEMBL14341349 0.81 MEN1 (0.56) MEN1KMT2AHTR5AOPRM1KDM1A
SCHEMBL7951338 0.80 MEN1 (0.62) MEN1KMT2AHTR5AOPRM1KDM1A
SCHEMBL8013929 0.80 MEN1 (0.66) MEN1KMT2AHTR5AOPRM1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0866708-A4 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 1999-05-06 EP disclosed
EP-0866708-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-09-30 EP disclosed
WO-1997017969-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-05-22 WO disclosed