SCHEMBL17865752

SCHEMBL17865752

COc1ccc(N2CCN(C(=O)[C@H](C)[C@H]3NC(=O)[C@H]3CCO)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 4/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
GAA P10253 2/20 0.44
AKR1C3 P42330 1/20 0.44
HTT P42858 1/20 0.43
GFER P55789 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL17865731 0.83 L3MBTL1 (0.50) L3MBTL1HSD17B10TSHRALDH1A1KDM4E
SCHEMBL17969615 0.83 L3MBTL1 (0.50) L3MBTL1HSD17B10TSHRALDH1A1KDM4E
SCHEMBL20153491 0.83 L3MBTL1 (0.50) L3MBTL1HSD17B10TSHRALDH1A1KDM4E
SCHEMBL19521198 0.78 HTT (0.35) L3MBTL1TSHRALDH1A1KMT2ASMN1; SMN2
SCHEMBL17865741 0.75 DDB1 (0.42) L3MBTL1ALDH1A1KDM4EMAPK1MAPT
SCHEMBL17865749 0.75 DDB1 (0.42) L3MBTL1ALDH1A1KDM4EMAPK1MAPT
SCHEMBL19521177 0.74 ADAMTS5 (0.48)
SCHEMBL8325259 0.73 L3MBTL1 (0.68) L3MBTL1HSD17B10ALDH1A1KDM4EKMT2A
SCHEMBL19521183 0.72 CCR1 (0.41) ALDH1A1KMT2AMEN1
SCHEMBL21852720 0.71 L3MBTL1 (0.64) L3MBTL1HSD17B10ALDH1A1KDM4EKMT2A

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
EP-3036219-A2 NOVEL BETA LACTAMS AS MODULATORS OF GLUTAMATE UPTAKE AND METHODS FOR USE THEREOF Temple University Of The Commonwealth System Of Higher Education (US) 2016-06-29 EP disclosed