SCHEMBL2337563

SCHEMBL2337563

CCCC(=O)NN1CC(c2ccccc2C(F)(F)F)CC1=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 15/20 0.45
ALDH1A1 P00352 2/20 0.42
F2R P25116 1/20 0.40
PROKR1 Q8TCW9 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
P2RX7 Q99572 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL660719 0.75 RBP4 (0.42) RBP4ALDH1A1PROKR1KDM4EHPGD
SCHEMBL2337559 0.71 RBP4 (0.46) RBP4ALDH1A1KDM4EHPGDTDP1
SCHEMBL31613472 0.70 RBP4 (0.73) RBP4CYP2C19
SCHEMBL16059035 0.70 SLC18A3 (0.47)
SCHEMBL15719233 0.68 SLC18A3 (0.46) ALDH1A1KDM4E
SCHEMBL15720074 0.68 DRD2 (0.45)
SCHEMBL20913744 0.68 BRD4 (0.38) KDM4E
SCHEMBL24877818 0.67 HTR2C (0.51) RBP4PROKR1TDP1
SCHEMBL31487378 0.66 RBP4 (0.63) RBP4CYP2C19
SCHEMBL7569154 0.66 TP53 (0.56) RBP4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011100373-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION THE JOHNS HOPKINS UNIVERSITY (US) 2011-08-18 WO disclosed