SCHEMBL1738829

SCHEMBL1738829

CN1CCN(c2ccc(F)cc2C[C@H]2CCCN(c3ccc(C(C)(C)O)nc3)C2=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.37
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SYK P43405 5/20 0.35
MAPK7 Q13164 2/20 0.35
WEE1 P30291 1/20 0.35
LRRK2 Q5S007 1/20 0.35
MAOA P21397 1/20 0.35
FPR2 P25090 2/20 0.34
POLB P06746 1/20 0.34
ALK Q9UM73 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
PER2 O15055 1/20 0.34
TNK2 Q07912 1/20 0.34
EGFR P00533 1/20 0.34
CSF1R P07333 1/20 0.34

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
SCHEMBL1737221 1.00 DPP4 (0.37) DPP4PARP1PARP2ALDH1A1L3MBTL1
SCHEMBL1737782 1.00 DPP4 (0.37) DPP4PARP1PARP2ALDH1A1L3MBTL1
SCHEMBL1738502 0.95 DPP4 (0.38) DPP4PARP1PARP2ALDH1A1L3MBTL1
SCHEMBL1737851 0.95 DPP4 (0.38) DPP4PARP1PARP2ALDH1A1L3MBTL1
SCHEMBL1738798 0.95 DPP4 (0.38) DPP4PARP1PARP2ALDH1A1L3MBTL1
SCHEMBL1737739 0.90 CHRM4 (0.36) DPP4PARP1PARP2SYKMAOA
SCHEMBL1738446 0.89 WEE1 (0.37) PARP1PARP2WEE1FPR2
SCHEMBL1738510 0.89 WEE1 (0.37) PARP1PARP2WEE1FPR2
SCHEMBL1738975 0.89 WEE1 (0.37) PARP1PARP2WEE1FPR2
SCHEMBL1737882 0.87 HTR6 (0.36) DPP4ALDH1A1L3MBTL1MAPK7LRRK2

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-1727794-B1 NOVEL BENZYL(IDENE)-LACTAM DERIVATIVES PFIZER PROD INC (US) 2011-11-16 EP claimed
US-20110263484-A1 SINGLE CHAIN FC TYPE III INTERFERONS AND METHODS OF USING SAME ZYMOGENETICS, INC. 2011-10-27 US claimed
US-7479559-B2 3-[-2-(Piperazin-1-yl)benzyl]pyrrolidin-2-one derivatives; antidepressants, anxiolytic agents; obsessive compulsive disorder, psychological disorders, phobias; 5-HT1 agonist or antagonists; side effect reduction, in particular cardiac QTc prolongation; hydrogenation PFIZER INC. (US) 2009-01-20 US claimed