SCHEMBL5794907

SCHEMBL5794907

Brc1ccc(CN2CCC(OCc3c[nH]cn3)CC2)cc1.Fc1cc(C(F)(F)F)ccc1CN1CCC(OCc2c[nH]cn2)CC1.c1ccc(COc2ccc(CN3CCC(OCc4c[nH]cn4)CC3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 2/20 0.45
DRD4 P21917 7/20 0.44
SIGMAR1 Q99720 7/20 0.44
DRD3 P35462 3/20 0.44
TMEM97 Q5BJF2 1/20 0.44
S1PR1 P21453 2/20 0.41
S1PR5 Q9H228 2/20 0.41
PRKX P51817 1/20 0.41
IKBKE Q14164 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
CHRM4 P08173 1/20 0.39
PDGFRA P16234 1/20 0.39
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL605452 0.85 JAK2 (0.46) DRD4SIGMAR1DRD3TMEM97
SCHEMBL2567141 0.82 NPC1 (0.58) S1PR5NPC1RAB9AHRH3CHRM4
SCHEMBL606618 0.80 OPRM1 (0.46) DRD4SIGMAR1DRD3TMEM97LMNA
SCHEMBL613535 0.78 CARM1 (0.49) DRD4SIGMAR1DRD3TMEM97
SCHEMBL606943 0.76 SIGMAR1 (0.45) DRD4SIGMAR1DRD3TMEM97
SCHEMBL603022 0.74 KDM4E (0.46) DRD4SIGMAR1DRD3TMEM97HRH3
SCHEMBL603681 0.74 CARM1 (0.53) DRD4SIGMAR1DRD3TMEM97HRH3
SCHEMBL5487632 0.73 CARM1 (0.51) DRD4SIGMAR1DRD3TMEM97NPC1
SCHEMBL605534 0.72 CARM1 (0.49) DRD4SIGMAR1DRD3TMEM97
SCHEMBL5475202 0.72 CARM1 (0.53) DRD4SIGMAR1DRD3TMEM97

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