SCHEMBL11832008

SCHEMBL11832008

COc1ccc2cc(CCO)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAOA P21397 1/20 0.39
SLC6A2 P23975 1/20 0.39
RAB9A P51151 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL11823919 0.89 MTNR1A (0.63) MTNR1AMTNR1BKDM4EMAPTNPC1
SCHEMBL31731406 0.87 MTNR1A (0.47) MTNR1AMTNR1BHDAC3HDAC4HDAC1
SCHEMBL21458325 0.87 MTNR1A (0.47) MTNR1AMTNR1BHDAC3HDAC4HDAC1
SCHEMBL11827265 0.82 MTNR1A (0.53) MTNR1AMTNR1BHDAC3HDAC4HDAC1
SCHEMBL19808389 0.81 CYP1A2 (0.46) MTNR1AMTNR1BHDAC3HDAC4HDAC1
SCHEMBL11839856 0.80 MTNR1A (0.48) MTNR1AMTNR1BHDAC3HDAC4HDAC1
SCHEMBL11838104 0.78 PTGS1 (0.60) MTNR1AMTNR1BHDAC3HDAC4HDAC1
SCHEMBL29518285 0.78 PTGS1 (0.60) MTNR1AMTNR1BHDAC3HDAC4HDAC1
SCHEMBL11830895 0.77 MTNR1A (0.45) MTNR1AMTNR1BHDAC3HDAC4HDAC1
SCHEMBL11830748 0.76 MAPT (0.41) MTNR1AMTNR1BKDM4EMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3991061-A Azanaphthaleneacetic acid derivatives G. D. SEARLE & CO. (US) 1976-11-09 US disclosed