SCHEMBL8675664

SCHEMBL8675664

CC(=NO)c1ccc(OCc2ccccc2)c(CCCc2ccccc2C(=O)NCCO)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 4/20 0.51
BRD4 O60885 5/20 0.50
MTNR1A P48039 6/20 0.48
PTGER1 P34995 2/20 0.46
PTGER4 P35408 2/20 0.46
PTGER3 P43115 2/20 0.46
PTGER2 P43116 2/20 0.46
SPHK2 Q9NRA0 1/20 0.45
SPHK1 Q9NYA1 1/20 0.45
SGMS2 Q8NHU3 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMPD1 P17405 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL8678491 0.91 MTNR1B (0.54) MTNR1BBRD4MTNR1APTGER1PTGER4
SCHEMBL8326520 0.90 MTNR1B (0.56) MTNR1BBRD4MTNR1APTGER1PTGER4
SCHEMBL8326518 0.90 MTNR1B (0.56) MTNR1BBRD4MTNR1APTGER1PTGER4
SCHEMBL8675663 0.88 MTNR1B (0.55) MTNR1BBRD4MTNR1APTGER1PTGER4
SCHEMBL8676020 0.86 PTGER1 (0.54) MTNR1BMTNR1APTGER1PTGER4PTGER3
SCHEMBL8675504 0.81 MTNR1B (0.49) MTNR1BBRD4MTNR1APTGER1PTGER4
SCHEMBL8321075 0.80 MTNR1B (0.60) MTNR1BBRD4MTNR1APTGER1PTGER4
SCHEMBL8324495 0.80 PTGER1 (0.67) MTNR1BMTNR1APTGER1PTGER4PTGER3
SCHEMBL8324492 0.80 PTGER1 (0.67) MTNR1BMTNR1APTGER1PTGER4PTGER3
SCHEMBL8322870 0.79 PTGER1 (0.55) 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