SCHEMBL8326518

SCHEMBL8326518

C/C(=N\O)c1ccc(OCc2ccccc2)c(CCCc2ccc(C(=O)NCCO)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 5/20 0.56
SPHK2 Q9NRA0 2/20 0.53
SPHK1 Q9NYA1 1/20 0.53
BRD4 O60885 4/20 0.53
PTGER1 P34995 2/20 0.50
PTGER4 P35408 2/20 0.50
PTGER3 P43115 2/20 0.50
PTGER2 P43116 2/20 0.50
MTNR1A P48039 5/20 0.48
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 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 1.00 MTNR1B (0.56) MTNR1BSPHK2SPHK1BRD4PTGER1
SCHEMBL8675663 0.93 MTNR1B (0.55) MTNR1BSPHK2SPHK1BRD4PTGER1
SCHEMBL8321075 0.91 MTNR1B (0.60) MTNR1BSPHK2SPHK1BRD4PTGER1
SCHEMBL8675664 0.90 MTNR1B (0.51) MTNR1BSPHK2SPHK1BRD4PTGER1
SCHEMBL8324495 0.86 PTGER1 (0.67) MTNR1BPTGER1PTGER4PTGER3PTGER2
SCHEMBL8324492 0.86 PTGER1 (0.67) MTNR1BPTGER1PTGER4PTGER3PTGER2
SCHEMBL8322870 0.85 PTGER1 (0.55) MTNR1BPTGER1PTGER4PTGER3PTGER2
SCHEMBL8324322 0.84 MTNR1B (0.57) MTNR1BSPHK2SPHK1BRD4PTGER1
SCHEMBL8678487 0.83 MTNR1B (0.58) MTNR1BSPHK2SPHK1BRD4PTGER1
SCHEMBL8322416 0.83 MTNR1B (0.55) MTNR1BSPHK2SPHK1BRD4PTGER1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP disclosed