SCHEMBL27544652

SCHEMBL27544652

O=C(O)N1CCCc2ccc(C(F)(F)F)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.53
NOTUM Q6P988 2/20 0.49
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
XIAP P98170 1/20 0.46
BIRC2 Q13490 1/20 0.46
CPT2 P23786 1/20 0.45
CPT1A P50416 1/20 0.45
CPT1B Q92523 1/20 0.45
BRD4 O60885 1/20 0.44
ATAD2 Q6PL18 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.42
P2RX1 P51575 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 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
SCHEMBL2530222 0.91 CNR2 (0.62) CNR2NOTUMHTR2AHTR2CXIAP
SCHEMBL7552151 0.88 NOTUM (0.63) NOTUMHTR2AHTR2CSMN1; SMN2CYP3A4
SCHEMBL10241674 0.87 NOTUM (0.66) CNR2NOTUMHTR2AHTR2CXIAP
SCHEMBL9393577 0.87 CNR2 (0.52) CNR2NOTUMHTR2AHTR2CXIAP
SCHEMBL7382818 0.84 NOTUM (0.62) CNR2NOTUMHTR2AHTR2CCYP3A4
SCHEMBL28129591 0.83 NOTUM (0.58) NOTUMHTR2AHTR2CSMN1; SMN2CYP3A4
SCHEMBL7830913 0.81 CNR2 (0.47) CNR2NOTUMHTR2AHTR2CXIAP
SCHEMBL3266400 0.80 XIAP (0.48) CNR2NOTUMHTR2AHTR2CXIAP
SCHEMBL17785806 0.80 ALDH1A1 (0.49) NOTUMXIAPBRD4ATAD2SMN1; SMN2
SCHEMBL14403429 0.79 CYP3A4 (0.43) CNR2NOTUMHTR2AHTR2CXIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1602191-A Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK AS (DK) 2005-03-30 CN claimed
CN-1326519-C Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK AS (DK) 2007-07-18 CN disclosed
CN-1602191-A Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK AS (DK) 2005-03-30 CN disclosed