SCHEMBL15949335

SCHEMBL15949335

O=C(c1ccc(-c2ccccc2)cc1)N1CC(N2CCN(C(=O)C3CC3)CC2)C1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FASN P49327 3/20 0.70
SMN1; SMN2 Q16637 3/20 0.64
HPGD P15428 2/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
TSHR P16473 1/20 0.64
ACACB O00763 8/20 0.57
ACACA Q13085 8/20 0.57
HRH3 Q9Y5N1 1/20 0.53
L3MBTL3 Q96JM7 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPK1 P28482 1/20 0.51
POLB P06746 2/20 0.51
ALDH1A1 P00352 1/20 0.50
SLC6A7 Q99884 1/20 0.50
MGLL Q99685 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
SCHEMBL15949386 0.95 FASN (0.74) FASNSMN1; SMN2HPGDMEN1KMT2A
SCHEMBL15949315 0.95 FASN (0.79) FASNSMN1; SMN2HPGDMEN1KMT2A
SCHEMBL15949476 0.88 HPGD (0.62) FASNSMN1; SMN2HPGDMEN1KMT2A
SCHEMBL912172 0.85 SLC6A7 (0.55) FASNSMN1; SMN2HPGDMEN1KMT2A
SCHEMBL911620 0.83 MEN1 (0.66) FASNHPGDMEN1KMT2AL3MBTL3
SCHEMBL911925 0.83 FASN (0.51) FASNSMN1; SMN2HPGDMEN1KMT2A
SCHEMBL915762 0.82 KDM4E (0.56) FASNMEN1KMT2AACACBACACA
SCHEMBL911524 0.81 ABL1 (0.61) FASNHPGDTSHRACACBACACA
SCHEMBL15949361 0.81 L3MBTL3 (0.56) FASNHPGDMEN1KMT2AACACB
SCHEMBL15949266 0.81 POLB (0.56) FASNHPGDMEN1KMT2AACACB

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
EP-2421823-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-01-14 EP disclosed
EP-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 EP disclosed
EP-2421825-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-01-01 EP disclosed