SCHEMBL5793572

SCHEMBL5793572

COc1ccc(Oc2cccc(CN3CCC(OCc4c[nH]cn4)CC3)c2)cc1.COc1ccccc1CN1CCC(OCc2c[nH]cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
DRD2 P14416 1/20 0.43
LMNA P02545 1/20 0.42
CCR8 P51685 1/20 0.42
FAAH O00519 1/20 0.41
OPRM1 P35372 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.40
GNAI3 P08754 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL604428 0.93 DRD2 (0.46) DRD2CCR8FAAHOPRM1KDM4E
SCHEMBL605127 0.87 KDM4E (0.49) DRD2LMNACCR8FAAHOPRM1
SCHEMBL604939 0.86 CHRM3 (0.52) MEN1KMT2AFAAHPOLBGNAI3
SCHEMBL605914 0.85 DRD2 (0.46) DRD2CCR8FAAHKDM4EALDH1A1
SCHEMBL603848 0.77 DRD4 (0.46) DRD2CHRM2CHRM3ALDH1A1
SCHEMBL603549 0.75 CARM1 (0.53) DRD2OPRM1HTTKDM4EALDH1A1
SCHEMBL603140 0.75 CARM1 (0.53) MEN1KMT2AALDH1A1
SCHEMBL5765258 0.75 DRD4 (0.46)
SCHEMBL606084 0.75 ACHE (0.51) MEN1KMT2A
SCHEMBL604129 0.75 ACHE (0.50) KMT2ADRD2LMNACHRM2CHRM4

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
EP-1651634-A1 IMIDAZOL DERIVATIVES OF PIPERIDINE AS HISTAMINE ANTAGONISTS AstraZeneca AB (SE) 2006-05-03 EP disclosed
WO-2005014579-A1 IMIDAZOL DERIVATIVES OF PIPERDINE AS HISTAMINE ANTAGONISTS ASTRAZENECA AB (SE) 2005-02-17 WO disclosed