SCHEMBL4386696

SCHEMBL4386696

NC1CN(C(=O)c2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.62
MAPK1 P28482 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.59
POLB P06746 2/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
SLC6A7 Q99884 2/20 0.55
FASN P49327 3/20 0.54
HTR2B P41595 1/20 0.53
TSHR P16473 4/20 0.52
ALDH1A1 P00352 3/20 0.51
MGLL Q99685 2/20 0.50
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TLR2 O60603 1/20 0.50
TLR1 Q15399 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA7 P36544 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
SCHEMBL3650639 0.89 CHRNB2 (0.61) HPGDMEN1KMT2AALDH1A1CHRNB2
SCHEMBL20067667 0.87 SMN1; SMN2 (0.65) HPGDMAPK1SMN1; SMN2POLBMEN1
SCHEMBL20067709 0.87 SMN1; SMN2 (0.65) HPGDMAPK1SMN1; SMN2POLBMEN1
SCHEMBL4635281 0.87 HPGD (0.58) HPGDMAPK1SMN1; SMN2POLBMEN1
SCHEMBL8158994 0.84 HPGD (0.64) HPGDMAPK1SMN1; SMN2POLBMEN1
SCHEMBL15958971 0.83 PLA2G1B (0.67) HPGDMAPK1SMN1; SMN2POLBMEN1
SCHEMBL15172195 0.80 PLA2G1B (0.77) HPGDMAPK1SMN1; SMN2POLBMEN1
SCHEMBL10721898 0.80 MAPK1 (0.85) HPGDMAPK1SMN1; SMN2POLBMEN1
SCHEMBL8159153 0.79 HPGD (0.78) HPGDMAPK1SMN1; SMN2POLBMEN1
SCHEMBL17888327 0.79 PKM (0.59) HPGDMEN1KMT2AALDH1A1MGLL

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-2012054721-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICAL NV (BE) 2012-04-26 WO disclosed