SCHEMBL8675504

SCHEMBL8675504

C[S+]([O-])c1ccc(OCc2ccccc2)c(CCCc2ccccc2C(=O)NCCO)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 5/20 0.49
MTNR1A P48039 7/20 0.46
PTGER1 P34995 3/20 0.46
PTGER4 P35408 3/20 0.46
PTGER3 P43115 3/20 0.46
PTGER2 P43116 3/20 0.46
BRD4 O60885 2/20 0.44
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
SGMS2 Q8NHU3 1/20 0.41
USP28 Q96RU2 1/20 0.39
USP25 Q9UHP3 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL8322416 0.88 MTNR1B (0.55) MTNR1BMTNR1APTGER1PTGER4PTGER3
SCHEMBL8675502 0.87 MTNR1B (0.55) MTNR1BMTNR1APTGER1PTGER4PTGER3
SCHEMBL8678491 0.84 MTNR1B (0.54) MTNR1BMTNR1APTGER1PTGER4PTGER3
SCHEMBL9066724 0.81 BRD4 (0.41) MTNR1BMTNR1APTGER1PTGER4PTGER3
SCHEMBL8675664 0.81 MTNR1B (0.51) MTNR1BMTNR1APTGER1PTGER4PTGER3
SCHEMBL8326632 0.81 MTNR1B (0.55) MTNR1BMTNR1APTGER1PTGER4PTGER3
SCHEMBL9066730 0.79 BRD4 (0.42) MTNR1BMTNR1APTGER1BRD4SPHK2
SCHEMBL8678928 0.77 PTGER1 (0.54) MTNR1BMTNR1APTGER1PTGER4PTGER3
SCHEMBL8677617 0.77 MTNR1B (0.50) MTNR1BMTNR1APTGER1PTGER4PTGER3
SCHEMBL8326066 0.76 PTGER1 (0.48) MTNR1BMTNR1APTGER1PTGER4PTGER3

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