SCHEMBL7019674

SCHEMBL7019674

O=C(NCCCc1c[nH]c2ccc(O)cc12)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.66
TRPV1 Q8NER1 5/20 0.65
PTGS1 P23219 4/20 0.65
PTGS2 P35354 2/20 0.65
MEN1 O00255 1/20 0.64
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64
KMT2A Q03164 1/20 0.64
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
SPR P35270 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
MAPT P10636 1/20 0.59
IDO1 P14902 1/20 0.59
HPGD P15428 1/20 0.59
BLM P54132 1/20 0.59
NOTUM Q6P988 1/20 0.59

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
SCHEMBL5342883 0.93 ACHE (0.75) ACHETRPV1PTGS1PTGS2MEN1
SCHEMBL31277254 0.93 ACHE (0.75) ACHETRPV1PTGS1PTGS2MEN1
SCHEMBL7023429 0.84 TRPV1 (0.77) ACHETRPV1PTGS1PTGS2MEN1
SCHEMBL14074033 0.84 SNCA (0.72) MEN1NPC1RAB9AKMT2AHPGD
SCHEMBL28412156 0.83 PTGS1 (0.77) ACHETRPV1PTGS1PTGS2MEN1
SCHEMBL10071693 0.81 TYR (0.81) ACHETRPV1PTGS1PTGS2MEN1
SCHEMBL25217961 0.81 TRPV1 (0.67) ACHETRPV1PTGS1PTGS2MEN1
SCHEMBL20182262 0.81 TRPV1 (0.73) ACHETRPV1PTGS1PTGS2KMT2A
SCHEMBL15145405 0.80 PTGS1 (0.81) ACHETRPV1PTGS1PTGS2MEN1
SCHEMBL7024455 0.80 HTR1A (0.61) ACHETRPV1MEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1057826-B1 Substituted dimeric carboxamide derivatives, method for preparing them, and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-04-16 EP disclosed
US-6310074-B1 TREATING MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 2001-10-30 US disclosed
EP-1057826-A1 Substituted dimeric carboxamide derivatives, method for preparing them, and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-12-06 EP disclosed