SCHEMBL4683665

SCHEMBL4683665

COc1cc([N+](=O)[O-])ccc1Oc1ccc(NC(=O)c2ccc(OC3CCN(C(=O)O)CC3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.48
KMT2A Q03164 8/20 0.48
MAPT P10636 9/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
SETD7 Q8WTS6 1/20 0.46
ABCB1 P08183 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
ALOX5 P09917 2/20 0.46
RAB9A P51151 3/20 0.45
RAF1 P04049 1/20 0.45
NPC1 O15118 2/20 0.45
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL4233632 0.86 ABCG2 (0.45) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL4232477 0.86 MAPT (0.50) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL4237437 0.86 MAPT (0.50) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL4683963 0.82 KCNH2 (0.42) KMT2AMAPTALDH1A1
SCHEMBL2812864 0.80 NPSR1 (0.50) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL4686461 0.80 ALDH1A1 (0.40) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL4687895 0.76 MEN1 (0.60) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL4233934 0.75 MAPT (0.47) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL6136613 0.75 CYP1A2 (0.50) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL15514870 0.75 NPSR1 (0.48) MEN1KMT2AMAPTALDH1A1SMN1; 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 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