SCHEMBL10826554

SCHEMBL10826554

O=C(NCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.76
DRD3 P35462 10/20 0.76
DRD4 P21917 2/20 0.62
TMEM97 Q5BJF2 1/20 0.62
SIGMAR1 Q99720 1/20 0.62
LMNA P02545 1/20 0.61
HDAC4 P56524 2/20 0.61
HDAC1 Q13547 2/20 0.61
HRH1 P35367 2/20 0.59
SLC6A2 P23975 1/20 0.59
HRH2 P25021 1/20 0.59
HTR2A P28223 1/20 0.59
SLC6A4 P31645 1/20 0.59
HTR2B P41595 1/20 0.59
SLC6A3 Q01959 1/20 0.59
TEK Q02763 1/20 0.59
KCNH2 Q12809 1/20 0.59

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
Fumaric Acid SCHEMBL10826542 0.92 DRD2 (0.69) DRD2DRD3DRD4LMNAHRH1
Fumaric Acid SCHEMBL10826547 0.92 DRD2 (0.69) DRD2DRD3DRD4LMNAHRH1
Hydrochloric Acid SCHEMBL10827491 0.91 DRD2 (0.71) DRD2DRD3LMNAHDAC4HDAC1
SCHEMBL10826820 0.86 DRD2 (0.68) DRD2DRD3LMNAHDAC4HDAC1
SCHEMBL10756632 0.85 TMEM97 (0.72) DRD2DRD3DRD4TMEM97SIGMAR1
SCHEMBL9661704 0.85 DRD2 (0.63) DRD2DRD3HTR2ASLC6A4
SCHEMBL7154331 0.84 DRD2 (0.80) DRD2DRD3DRD4TMEM97SIGMAR1
SCHEMBL22321657 0.83 DRD2 (0.65) DRD2DRD3LMNAHDAC4HDAC1
SCHEMBL7371815 0.82 DRD2 (0.84) DRD2DRD3DRD4TMEM97SIGMAR1
SCHEMBL9661746 0.82 DRD2 (0.64) DRD2DRD3HDAC4HDAC1

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-4591590-A ANTIALLERGINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-05-27 US disclosed
EP-0113226-A1 Benzhydrylpiperazine derivatives, processes for the preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-07-11 EP disclosed