SCHEMBL8675663

SCHEMBL8675663

CC(=NO)c1ccc(OCc2ccccc2)c(CCCc2cccc(C(=O)NCCO)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 3/20 0.55
BRD4 O60885 5/20 0.54
SPHK2 Q9NRA0 1/20 0.49
SPHK1 Q9NYA1 1/20 0.49
MTNR1A P48039 5/20 0.47
MRGPRX4 Q96LA9 2/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTGER1 P34995 2/20 0.44
PTGER4 P35408 2/20 0.44
PTGER3 P43115 2/20 0.44
PTGER2 P43116 2/20 0.44
PDE5A O76074 1/20 0.42

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
SCHEMBL8326520 0.93 MTNR1B (0.56) MTNR1BBRD4SPHK2SPHK1MTNR1A
SCHEMBL8326518 0.93 MTNR1B (0.56) MTNR1BBRD4SPHK2SPHK1MTNR1A
SCHEMBL8678487 0.91 MTNR1B (0.58) MTNR1BBRD4SPHK2SPHK1MTNR1A
SCHEMBL8675664 0.88 MTNR1B (0.51) MTNR1BBRD4SPHK2SPHK1MTNR1A
SCHEMBL8676549 0.84 MTNR1B (0.56) MTNR1BBRD4SPHK2SPHK1MTNR1A
SCHEMBL8321075 0.83 MTNR1B (0.60) MTNR1BBRD4SPHK2SPHK1MTNR1A
SCHEMBL8675502 0.82 MTNR1B (0.55) MTNR1BBRD4SPHK2SPHK1MTNR1A
SCHEMBL8324495 0.81 PTGER1 (0.67) MTNR1BMTNR1AMRGPRX4NPC1RAB9A
SCHEMBL8324492 0.81 PTGER1 (0.67) MTNR1BMTNR1AMRGPRX4NPC1RAB9A
SCHEMBL8322870 0.80 PTGER1 (0.55) MTNR1BMTNR1ANPC1RAB9ASMN1; SMN2

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