SCHEMBL27770227

SCHEMBL27770227

NC(=O)C1(c2ccccc2)CCCCNC1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.43
GRIN2A Q12879 3/20 0.43
GRIN2B Q13224 1/20 0.41
AKR1C1 Q04828 1/20 0.41
HDAC4 P56524 2/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DPP4 P27487 1/20 0.34
HTT P42858 2/20 0.34
ALDH1A1 P00352 1/20 0.34
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
SCHEMBL18822335 0.74 GRIN1 (0.48) GRIN1GRIN2AGRIN2BAKR1C1HDAC4
SCHEMBL11216766 0.74 GRIN1 (0.50) GRIN1GRIN2AGRIN2BAKR1C1MEN1
SCHEMBL8115016 0.73 OPRM1 (0.54) GRIN1GRIN2ASMN1; SMN2
SCHEMBL12494953 0.72 GRIN1 (0.43) GRIN1GRIN2AGRIN2BAKR1C1HDAC4
SCHEMBL18794819 0.71 GRIN1 (0.51) GRIN1GRIN2AGRIN2BAKR1C1MEN1
SCHEMBL1653538 0.70 CCR2 (0.33)
SCHEMBL14214917 0.69 HDAC9 (0.57) AKR1C1HDAC4MEN1KMT2A
SCHEMBL2313192 0.68 GRIN1 (0.55) GRIN1GRIN2AGRIN2BAKR1C1MEN1
Hydrochloric Acid SCHEMBL6818616 0.68 GRIN1 (0.51) GRIN1GRIN2AGRIN2BMEN1KMT2A
SCHEMBL28222493 0.68 GRIN1 (0.44) GRIN1GRIN2AGRIN2BAKR1C1MEN1

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
CN-101646655-A Imidazolidine carboxamide derivatives as lipase and phospholipase inhibitors SANOFI AVENTIS FR 2010-02-10 CN disclosed