SCHEMBL5226844

SCHEMBL5226844

c1ccc(CC2=C(c3ccc(-n4ncc(CN5CCNCC5)c4-c4ccco4)cc3)OCO2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.34
SMO Q99835 3/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HCRTR1 O43613 1/20 0.33
MAPT P10636 4/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 3/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 3/20 0.32
HSD17B10 Q99714 2/20 0.31
HPGD P15428 2/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
TDP1 Q9NUW8 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
SCHEMBL5230408 0.90 SLC2A1 (0.32) L3MBTL1SMN1; SMN2HCRTR1MAPTALDH1A1
SCHEMBL5226173 0.90 SMO (0.38) SMODRD2DRD4DRD3L3MBTL1
SCHEMBL5222928 0.90 SMO (0.38) SMODRD2DRD4DRD3L3MBTL1
SCHEMBL5229345 0.88 EGFR (0.34) SMODRD2DRD4DRD3L3MBTL1
SCHEMBL5226667 0.86 DRD4 (0.39) SMODRD2DRD4DRD3L3MBTL1
SCHEMBL5226450 0.85 F10 (0.35) ALDH1A1KMT2A
SCHEMBL5229304 0.82 ALDH1A1 (0.33) SMN1; SMN2MAPTALDH1A1KDM4EPOLB
SCHEMBL5225471 0.82 HRH3 (0.35) SMODRD2DRD4DRD3KDM4E
SCHEMBL5224860 0.81 ALDH1A1 (0.31) MAPTALDH1A1KDM4ELMNAHSD17B10
SCHEMBL5226838 0.80 ALDH1A1 (0.41) L3MBTL1SMN1; SMN2ALDH1A1KDM4EPOLB

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-1611122-B1 SUBSTITUTED PYRAZOLE COMPOUNDS MERCK PATENT GMBH (DE) 2007-06-13 EP disclosed