SCHEMBL8128665

SCHEMBL8128665

COc1ccc2oc(Cc3ccco3)c(C(C)CCNC(C)=O)c2c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 0.51
MTNR1B P49286 17/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
NQO2 P16083 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL8132594 0.83 MTNR1A (0.73) MTNR1AMTNR1B
SCHEMBL8127090 0.79 ALDH1A1 (0.42) MTNR1AMTNR1BNPC1RAB9ATDP1
SCHEMBL8126745 0.74 MTNR1A (0.74) MTNR1AMTNR1B
SCHEMBL8116625 0.70 MTNR1A (0.56) MTNR1AMTNR1BNPC1RAB9ATDP1
SCHEMBL8124372 0.70 MTNR1A (0.58) MTNR1AMTNR1BNPC1RAB9ATDP1
SCHEMBL8126457 0.69 MTNR1A (0.53) MTNR1AMTNR1BNPC1RAB9AKDM4E
SCHEMBL8123672 0.68 MTNR1A (0.74) MTNR1AMTNR1B
SCHEMBL8124550 0.68 MTNR1A (0.48) MTNR1AMTNR1BNPC1RAB9ATDP1
SCHEMBL8124513 0.68 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL8131063 0.67 MTNR1A (1.00) MTNR1AMTNR1B

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 2 patents. 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
EP-0926145-A1 Napthalene compounds, method for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-06-30 EP disclosed