SCHEMBL4725263

SCHEMBL4725263

Cc1ccc(C)c(N2CCN(CCC(N)=O)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.60
DRD4 P21917 3/20 0.60
DRD3 P35462 3/20 0.60
KMT2A Q03164 3/20 0.57
TSHR P16473 2/20 0.57
MEN1 O00255 2/20 0.57
ALDH1A1 P00352 3/20 0.56
HTT P42858 1/20 0.56
HTR1A P08908 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
MAPT P10636 3/20 0.52
POLB P06746 3/20 0.52
TP53 P04637 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.50

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
SCHEMBL3436302 0.86 TSHR (0.66) DRD2DRD4DRD3KMT2ATSHR
SCHEMBL3436467 0.83 OPRM1 (0.55) DRD2DRD4DRD3KMT2ATSHR
SCHEMBL3187550 0.82 DRD2 (0.56) DRD2DRD4DRD3KMT2AMEN1
SCHEMBL11392447 0.78 MEN1 (0.67) DRD2DRD4DRD3KMT2ATSHR
SCHEMBL7597607 0.78 MEN1 (0.67) DRD2DRD4DRD3KMT2ATSHR
SCHEMBL8370595 0.78 MEN1 (0.62) DRD2DRD4DRD3KMT2ATSHR
SCHEMBL3200095 0.76 ADRA1B (0.56) DRD2DRD4DRD3KMT2AMEN1
SCHEMBL5010587 0.76 HTT (0.56) DRD2DRD4DRD3KMT2AALDH1A1
SCHEMBL18181904 0.76 TSHR (0.63) DRD2DRD4DRD3KMT2ATSHR
SCHEMBL3436303 0.74 HTT (0.53) DRD2DRD4KMT2ATSHRMEN1

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-2008021250-A2 COMPOSITIONS AND METHODS FOR MODULATING APOPTOSIS IN CELLS OVER-EXPRESSING BCL-2 FAMILY MEMBER PROTEINS FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2008-02-21 WO disclosed