SCHEMBL8124372

SCHEMBL8124372

COc1ccc2oc(Cc3ccco3)c(CCCC(=O)O)c2c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 18/20 0.58
MTNR1B P49286 17/20 0.58
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL8116625 0.90 MTNR1A (0.56) MTNR1AMTNR1BNPC1RAB9ATDP1
SCHEMBL8132594 0.83 MTNR1A (0.73) MTNR1AMTNR1B
SCHEMBL8126457 0.83 MTNR1A (0.53) MTNR1AMTNR1BNPC1RAB9A
SCHEMBL8126745 0.82 MTNR1A (0.74) MTNR1AMTNR1B
SCHEMBL8124550 0.78 MTNR1A (0.48) MTNR1AMTNR1BNPC1RAB9ATDP1
SCHEMBL8128665 0.70 MTNR1A (0.51) MTNR1AMTNR1BNPC1RAB9ATDP1
SCHEMBL8690384 0.69 MTNR1A (0.64) MTNR1AMTNR1BRAB9A
SCHEMBL8124513 0.69 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL8128016 0.69 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL8127090 0.68 ALDH1A1 (0.42) MTNR1AMTNR1BNPC1RAB9ATDP1

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-6147110-A MELATONINERGIC AGENTS; SLEEP, EATING, CENTRAL NERVOUS SYSTEM, AND CARDIOVASCULAR DISORDERS ADIR ET COMPAGNIE (FR) 2000-11-14 US disclosed