SCHEMBL4778298

SCHEMBL4778298

Cc1c(F)cccc1[C@H]1[C@@H](C(=O)c2cccc(O)c2)CN(CCCC(F)(F)F)C[C@@H]1C(=O)N1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.35
DPP4 P27487 3/20 0.35
DPP8 Q6V1X1 3/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
MC5R P33032 1/20 0.32
MC1R Q01726 1/20 0.32
MAPK1 P28482 1/20 0.32
TACR1 P25103 1/20 0.32
ESR1 P03372 1/20 0.31
MGLL Q99685 1/20 0.31
MET P08581 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL4019458 0.90 DPP4 (0.35) MC4RDPP4DPP8ALDH1A1MAPT
SCHEMBL4018665 0.89 DPP4 (0.37) MC4RDPP4DPP8ALDH1A1MAPT
SCHEMBL4020144 0.88 DPP4 (0.38) MC4RDPP4DPP8ALDH1A1MAPT
SCHEMBL4028039 0.88 DPP4 (0.36) MC4RDPP4DPP8ALDH1A1MAPT
SCHEMBL4022700 0.85 DPP4 (0.34) MC4RDPP4DPP8ALDH1A1MAPT
SCHEMBL4025128 0.84 HRH3 (0.33) DPP4DPP8KDM4EPKMTSHR
SCHEMBL4028057 0.84 ALDH1A1 (0.37) MC4RDPP4DPP8ALDH1A1MAPT
SCHEMBL4028055 0.84 ALDH1A1 (0.37) MC4RDPP4DPP8ALDH1A1MAPT
SCHEMBL4021833 0.83 DPP4 (0.36) DPP4DPP8ALDH1A1MAPTKDM4E
SCHEMBL4749105 0.82 MET (0.36) MET

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-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP claimed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO claimed