SCHEMBL904828

SCHEMBL904828

O=c1c2ccccc2ncn1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.54
DRD2 P14416 4/20 0.54
HTR2A P28223 3/20 0.54
HTR2C P28335 3/20 0.54
ADRA1A P35348 3/20 0.54
HRH1 P35367 3/20 0.54
OPRM1 P35372 3/20 0.54
OPRD1 P41143 3/20 0.54
OPRK1 P41145 3/20 0.54
HTR6 P50406 3/20 0.54
SLC6A3 Q01959 3/20 0.54
CACNA1C Q13936 3/20 0.54
HTR1A P08908 3/20 0.54
SLC6A4 P31645 3/20 0.54
MEN1 O00255 2/20 0.54
MLNR O43193 2/20 0.54
GMNN O75496 2/20 0.54
USP2 O75604 2/20 0.54
LMNA P02545 2/20 0.54
TP53 P04637 2/20 0.54

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
SCHEMBL904830 0.86 DRD2 (0.60) DRD3DRD2HTR2AHTR2CADRA1A
SCHEMBL11563843 0.83 DRD2 (0.46) DRD2HTR2AHTR2COPRM1HTR6
SCHEMBL904836 0.82 HTR2A (0.56) DRD3DRD2HTR2AHTR2CADRA1A
SCHEMBL11567764 0.80 HTR1A (0.54) DRD3DRD2HTR2AOPRM1OPRK1
SCHEMBL11563844 0.79 OPRM1 (0.50) OPRM1OPRK1TSHRCCR5GAA
SCHEMBL11562263 0.78 ACHE (0.54) DRD3DRD2HTR2AHTR2CHTR1A
SCHEMBL11563880 0.78 CCR5 (0.47) DRD3DRD2OPRM1HTR1ASLC6A4
Hydrochloric Acid SCHEMBL7982489 0.77 DRD2 (0.46) DRD3DRD2HTR1ASLC6A4KCNH2
SCHEMBL11567913 0.77 ACHE (0.57) DRD3DRD2HTR1ASLC6A4CYP1A2
Hydrochloric Acid SCHEMBL7982494 0.76 DRD2 (0.47) DRD3DRD2HTR1ASLC6A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011143444-A2 DIPHENYLBUTYPIPERIDINE AUTOPHAGY INDUCERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-11-17 WO disclosed