SCHEMBL5707494

SCHEMBL5707494

CC1(C(=O)NC2=CC=CC[CH]2)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CETP P11597 9/20 0.47
P2RX7 Q99572 1/20 0.39
ADORA1 P30542 1/20 0.36
CCR2 P41597 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
CYP3A4 P08684 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
NPY2R P49146 1/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL5707457 0.81 CETP (0.41) CETP
SCHEMBL1730663 0.78 CETP (0.56) CETP
SCHEMBL528758 0.78 CETP (0.51) CETP
SCHEMBL2994117 0.76 CETP (0.49) CETP
SCHEMBL5707500 0.73 CETP (0.47) CETP
SCHEMBL8115837 0.71 SMN1; SMN2 (0.35) LMNAGAACYP3A4ALDH1A1SMN1; SMN2
Water SCHEMBL11230562 0.68 CETP (0.50) CETPP2RX7ADORA1LMNAGAA
SCHEMBL5707651 0.67 L3MBTL1 (0.45) CETPADORA1LMNAGAAALDH1A1
SCHEMBL2034401 0.65 CETP (0.47) CETPP2RX7CNR1CNR2CYP3A4
SCHEMBL1524902 0.65 P2RX7 (0.73) CETPP2RX7LMNAALDH1A1

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
EP-1020439-B1 CETP ACTIVITY INHIBITORS JAPAN TOBACCO INC (JP) 2006-08-30 EP claimed