SCHEMBL8474113

SCHEMBL8474113

COC(=O)COc1ccc(N2CCN(Cc3ccccc3)CC2)cc1OCC(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
LMNA P02545 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
HPGD P15428 2/20 0.50
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
USP2 O75604 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CCR5 P51681 1/20 0.50
DRD4 P21917 2/20 0.49
DRD2 P14416 2/20 0.49
DRD3 P35462 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47

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
SCHEMBL7364364 0.78 DRD4 (0.59) MAPTTSHRMAPK1LMNASMN1; SMN2
SCHEMBL7360171 0.78 ADRB1 (0.43) LMNA
SCHEMBL6773141 0.78 MAPT (0.52) MAPTTSHRMAPK1SMN1; SMN2HPGD
SCHEMBL8476801 0.78 MAPK1 (0.58) MAPTMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL3137445 0.77 MAPT (0.53) MAPTTSHRMAPK1LMNASMN1; SMN2
SCHEMBL4541604 0.76 DRD4 (0.57) MAPTTSHRMAPK1LMNASMN1; SMN2
SCHEMBL3134694 0.74 ALDH1A1 (0.63) MAPTTSHRMAPK1LMNASMN1; SMN2
SCHEMBL4653292 0.74 MAPT (0.66) MAPTTSHRMAPK1LMNASMN1; SMN2
SCHEMBL7388920 0.74 ALDH1A1 (0.65) MAPTTSHRLMNASMN1; SMN2ALDH1A1
SCHEMBL1107020 0.74 CHRNB2 (0.46) L3MBTL1

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
US-5994356-A ANTICOAGULANT KARL THOMAE (DE) 1999-11-30 US disclosed