SCHEMBL2721140

SCHEMBL2721140

O=C(c1nccs1)C1CNCCC1C1CN(C(=O)c2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 5/20 0.45
CHRNB2 P17787 3/20 0.41
CHRNB4 P30926 3/20 0.41
CHRNA3 P32297 3/20 0.41
CHRNA7 P36544 3/20 0.41
CHRNA4 P43681 3/20 0.41
HTR2B P41595 3/20 0.40
MGLL Q99685 2/20 0.40
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2721328 0.89 SLC6A7 (0.46) SLC6A7MGLL
SCHEMBL2718845 0.80 GPR52 (0.41) SLC6A7ALDH1A1SMN1; SMN2
SCHEMBL10175842 0.76 SLC6A7 (0.57) SLC6A7HTR2BMGLLALDH1A1TSHR
SCHEMBL2719941 0.73 ALDH1A1 (0.42) MGLLALDH1A1TSHRSMN1; SMN2
SCHEMBL2729620 0.72 CHRNB2 (0.59) SLC6A7CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL2721078 0.72 MGLL (0.37) CHRNA4MGLL
SCHEMBL2131175 0.72 CYP3A4 (0.55) SLC6A7HTR2BMGLLALDH1A1TSHR
SCHEMBL15253868 0.70 SLC6A7 (0.39) SLC6A7CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL911408 0.70 MGLL (0.69) SLC6A7MGLLALDH1A1TSHRMAPK1
SCHEMBL911279 0.70 MGLL (0.69) SLC6A7MGLLALDH1A1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2629851-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2013-08-28 EP disclosed
WO-2012054716-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV. (BE) 2012-04-26 WO disclosed