SCHEMBL4687159

SCHEMBL4687159

O=C(O)NN1CCC(Oc2ccc(OCc3ccccc3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.52
S1PR5 Q9H228 1/20 0.49
MMP13 P45452 1/20 0.48
MMP14 P50281 1/20 0.48
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
GSK3B P49841 1/20 0.47
BACE1 P56817 1/20 0.47
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
MCHR1 Q99705 1/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL4228422 0.85 ACACB (0.48) ACACBMMP13MMP14KDM4ENPC1
SCHEMBL19610351 0.83 FAAH (0.52) ACACBS1PR5MMP13MMP14KDM4E
SCHEMBL4785267 0.83 EPHX2 (0.48) MAPTHRH3
SCHEMBL12509353 0.80 FAAH (0.67) MAPTALDH1A1
SCHEMBL20455786 0.79 MAOB (0.61) NPC1RAB9ANR4A1NR4A2NR4A3
SCHEMBL19610193 0.79 SMN1; SMN2 (0.53) ACACBKDM4ENPC1RAB9AALDH1A1
SCHEMBL28285822 0.77 ACACB (0.49) ACACBS1PR5MMP13MMP14KDM4E
SCHEMBL21051312 0.76 MAOB (0.58) KDM4ENPC1RAB9ANR4A1NR4A2
SCHEMBL76105 0.76 YAP1 (0.60)
SCHEMBL12509224 0.76 MAPT (0.53) ACACBMAPTLMNA

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-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed