SCHEMBL8676076

SCHEMBL8676076

CCN(CC)c1ccc(OCc2ccccc2)c(CCCOC(=O)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.47
PTGER1 P34995 2/20 0.46
PTGER4 P35408 2/20 0.46
PTGER3 P43115 2/20 0.46
PTGER2 P43116 2/20 0.46
MTNR1A P48039 3/20 0.45
BACE1 P56817 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
NOX1 Q9Y5S8 1/20 0.43
TDP1 Q9NUW8 3/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41
APP P05067 1/20 0.41
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL8677521 0.86 MTNR1B (0.44) MTNR1BPTGER1PTGER4PTGER3PTGER2
SCHEMBL8320528 0.84 PTGER1 (0.54) MTNR1BPTGER1PTGER4PTGER3PTGER2
SCHEMBL8677652 0.84 PTGER1 (0.49) MTNR1BPTGER1PTGER4PTGER3PTGER2
SCHEMBL8676066 0.83 ESR1 (0.52) MTNR1BPTGER1PTGER4PTGER3PTGER2
SCHEMBL8678301 0.83 MTNR1B (0.50) MTNR1BPTGER1PTGER4PTGER3PTGER2
SCHEMBL8675086 0.82 TDP1 (0.55) MTNR1BPTGER1PTGER4PTGER3PTGER2
SCHEMBL9056791 0.82 PTGER1 (0.66) MTNR1BPTGER1PTGER4PTGER3PTGER2
SCHEMBL8677570 0.81 PTGER1 (0.57) MTNR1BPTGER1TDP1
SCHEMBL8675232 0.81 MTNR1B (0.48) MTNR1BPTGER1PTGER4PTGER3PTGER2
SCHEMBL8676390 0.81 MTNR1B (0.51) MTNR1BPTGER1PTGER4PTGER3PTGER2

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-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed