SCHEMBL7101053

SCHEMBL7101053

O=C(NCCc1coc2ccc(O)cc12)Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.54
NQO2 P16083 6/20 0.53
TRPV1 Q8NER1 2/20 0.53
MTNR1A P48039 9/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MTNR1B P49286 5/20 0.48
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL5338799 0.83 NQO2 (0.67) MAOBNQO2MTNR1AMEN1KMT2A
SCHEMBL7099888 0.81 MTNR1A (0.72) NQO2MTNR1AMTNR1B
SCHEMBL7026214 0.81 TP53 (0.54) NQO2TRPV1MTNR1AMEN1KMT2A
SCHEMBL7020477 0.80 MTNR1A (0.53) NQO2MTNR1AMEN1KMT2AMTNR1B
SCHEMBL5343419 0.80 MTNR1A (0.70) NQO2MTNR1AMTNR1BMAPT
SCHEMBL7099796 0.79 MTNR1A (0.51) NQO2MTNR1AMTNR1B
SCHEMBL7019162 0.78 MTNR1A (0.67) NQO2MTNR1AMTNR1B
SCHEMBL5341459 0.76 NQO2 (0.74) NQO2MTNR1AMTNR1BSMN1; SMN2
SCHEMBL5341366 0.76 MTNR1A (0.71) NQO2MTNR1AMTNR1B
SCHEMBL8690168 0.74 HTR1A (0.48) MAOBNQO2MTNR1AKMT2AMTNR1B

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