SCHEMBL2936818

SCHEMBL2936818

c1ccc(N2CCN(CC3CNCCO3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.53
SLC6A3 Q01959 6/20 0.53
SLC6A4 P31645 4/20 0.47
DRD4 P21917 6/20 0.46
DRD2 P14416 5/20 0.46
CHRNA7 P36544 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
DRD3 P35462 4/20 0.43
HTR1A P08908 3/20 0.43
SLC18A3 Q16572 1/20 0.43
KCNH2 Q12809 1/20 0.43
ADRB2 P07550 1/20 0.42

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
SCHEMBL2937179 1.00 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4DRD4DRD2
SCHEMBL2933070 0.86 ABCB1 (0.47) SLC6A2SLC6A3DRD4DRD2KDM4E
SCHEMBL3017719 0.83 SIGMAR1 (0.51) SLC6A2SLC6A3DRD4TSHRSIGMAR1
SCHEMBL3356592 0.79 DRD4 (0.55) DRD4DRD2CHRNA7KDM4ETSHR
SCHEMBL9015945 0.77 LMNA (0.50) DRD4DRD2CHRNA7KDM4ETSHR
SCHEMBL10510000 0.77 HTR1D (0.40) SLC6A2SLC6A3SLC6A4HTR1AADRB2
SCHEMBL28212829 0.76 HTR7 (0.45) SLC6A2SLC6A3SLC6A4DRD4DRD2
Fluoride SCHEMBL28212837 0.76 HTR7 (0.45) SLC6A2SLC6A3SLC6A4DRD4DRD2
Hydrochloric Acid SCHEMBL10511305 0.76 HTR1D (0.40) SLC6A2SLC6A3SLC6A4KDM4EHTR1A
SCHEMBL1183937 0.75 AKR1C3 (0.47) SLC6A2SLC6A3SLC6A4KDM4ETSHR

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-2229362-A1 PIPERAZINES AS ANTI-OBESITY AGENTS AstraZeneca AB (SE) 2010-09-22 EP disclosed
WO-2009071658-A1 PIPERAZINES AS ANTI-OBESITY AGENTS BIOVITRUM AB (PUBL) (SE) 2009-06-11 WO disclosed