SCHEMBL2337559

SCHEMBL2337559

NC(=O)CCCN1CC(c2ccccc2C(F)(F)F)CC1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 14/20 0.46
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
USP2 O75604 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.38
OPRL1 P41146 1/20 0.38
HTR2C P28335 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37

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
SCHEMBL2328859 0.75 SMN1; SMN2 (0.42) ALDH1A1HPGD
SCHEMBL660719 0.74 RBP4 (0.42) RBP4KDM4EALDH1A1HPGDTDP1
SCHEMBL2337563 0.71 RBP4 (0.45) RBP4KDM4EALDH1A1HPGDTDP1
SCHEMBL14236753 0.70 TACR1 (0.38) HPGD
SCHEMBL16059034 0.69 PRMT5 (0.47) ALDH1A1HPGDGAAKMT2A
SCHEMBL15719231 0.68 TACR1 (0.45) HPGD
SCHEMBL15720072 0.68 SMN1; SMN2 (0.46) ALDH1A1HPGDGAAKMT2A
SCHEMBL3209304 0.67 FAAH (0.55) GAA
SCHEMBL7569154 0.66 TP53 (0.56) RBP4GAAKMT2ATDP1HTR2C
SCHEMBL31147241 0.66 TP53 (0.56) RBP4GAAKMT2ATDP1HTR2C

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