SCHEMBL7022138

SCHEMBL7022138

CNC(=O)CCCc1c[nH]c2ccc(O)cc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.75
TRPV1 Q8NER1 8/20 0.64
KDM4E B2RXH2 3/20 0.63
ALDH1A1 P00352 2/20 0.63
NPSR1 Q6W5P4 2/20 0.63
LMNA P02545 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
CYP2D6 P10635 3/20 0.63
HTR2C P28335 3/20 0.63
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
SPR P35270 3/20 0.61
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
MAPT P10636 1/20 0.61
IDO1 P14902 1/20 0.61
HPGD P15428 1/20 0.61
BLM P54132 1/20 0.61
NOTUM Q6P988 1/20 0.61
SLC6A4 P31645 1/20 0.60

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
SCHEMBL1270126 0.83 NPSR1 (0.68) MPOTRPV1KDM4EALDH1A1NPSR1
SCHEMBL20182374 0.83 NPSR1 (0.68) MPOTRPV1KDM4EALDH1A1NPSR1
SCHEMBL19399613 0.82 ALDH1A1 (0.74) MPOKDM4EALDH1A1LMNATDP1
SCHEMBL13996187 0.82 SPR (0.73) TRPV1KDM4EALDH1A1NPSR1LMNA
SCHEMBL7002494 0.81 HTR2C (0.77) KDM4EALDH1A1NPSR1LMNATDP1
SCHEMBL25884522 0.81 NPSR1 (0.64) MPOTRPV1KDM4EALDH1A1NPSR1
SCHEMBL31036202 0.80 TRPV1 (0.91) TRPV1KDM4EALDH1A1NPSR1CYP2D6
SCHEMBL27959048 0.80 TRPV1 (0.59) MPOTRPV1KDM4EALDH1A1NPSR1
SCHEMBL6220357 0.80 CYP2D6 (0.71) TRPV1KDM4EALDH1A1NPSR1LMNA
SCHEMBL7100086 0.79 SPR (0.76) TRPV1KDM4EALDH1A1NPSR1LMNA

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