SCHEMBL904843

SCHEMBL904843

N#CC(CCCN1CCC(c2nc3ccccc3s2)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.56
KCNA3 P22001 3/20 0.55
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
GRM2 Q14416 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
CCR1 P32246 2/20 0.47

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
SCHEMBL6399328 0.82 DRD2 (0.65) DRD2DRD4GRM2SMN1; SMN2LMNA
SCHEMBL7533466 0.80 DRD2 (0.60) DRD2DRD4GRM2SMN1; SMN2LMNA
SCHEMBL7470794 0.79 KCNA3 (0.85) CCR3KCNA3CCR1
SCHEMBL14463703 0.78 DRD2 (0.63) DRD2DRD4GRM2SMN1; SMN2LMNA
SCHEMBL904841 0.78 CCR3 (0.56) CCR3KCNA3LMNACCR1
SCHEMBL904913 0.78 CCR3 (0.56) CCR3KCNA3CCR1
SCHEMBL8025525 0.77 DRD2 (0.58) DRD2DRD4GRM2SMN1; SMN2LMNA
SCHEMBL31145168 0.77 DRD2 (0.58) DRD2DRD4GRM2SMN1; SMN2LMNA
SCHEMBL7999797 0.75 DRD2 (0.54) DRD2DRD4GRM2SMN1; SMN2LMNA
SCHEMBL9103936 0.75 KCNA3 (0.85) CCR3KCNA3CCR1

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