SCHEMBL16408196

SCHEMBL16408196

CC(=O)OCC(=O)N(C)C1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
CHRM1 P11229 1/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
ALDH1A1 P00352 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 3/20 0.36
NPC1 O15118 3/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34
PKM P14618 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL16408261 0.92 SLC6A4 (0.41) KDM4EMEN1KMT2AALDH1A1RAB9A
SCHEMBL16408198 0.92 SLC6A4 (0.41) KDM4EMEN1KMT2AALDH1A1RAB9A
SCHEMBL18780558 0.92 SLC6A4 (0.41) KDM4EMEN1KMT2AALDH1A1RAB9A
SCHEMBL11283749 0.83 KDM4E (0.51) KDM4EMEN1KMT2AALDH1A1RAB9A
SCHEMBL1088743 0.83 ALDH1A1 (0.40) KDM4ECHRM1MEN1KMT2AALDH1A1
SCHEMBL3006964 0.81 KDM4E (0.38) KDM4ECHRM1MEN1KMT2AALDH1A1
SCHEMBL13744672 0.81 KDM4E (0.39) KDM4EMEN1KMT2AALDH1A1RAB9A
SCHEMBL615680 0.77 SLC6A4 (0.43) CHRM1ALDH1A1SLC6A2SLC6A4KCNH2
SCHEMBL13478888 0.77 CHRM1 (0.42) CHRM1ALDH1A1SLC6A2SLC6A4KCNH2
SCHEMBL5901045 0.76 SLC6A4 (0.43) CHRM1SLC6A2SLC6A4KCNH2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022194-B1 INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2017-05-17 EP disclosed
EP-3022193-B1 INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2017-04-26 EP disclosed
US-9573957-B2 Inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-02-21 US disclosed
US-9573957-B2 Inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-02-21 US disclosed
US-9303018-B2 Inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-05 US disclosed
WO-2015009609-A1 INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-22 WO disclosed
WO-2015009611-A1 INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-22 WO disclosed