SCHEMBL8118751

SCHEMBL8118751

CCc1ccc2oc(Cc3ccco3)c(CC#N)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
MAPT P10636 2/20 0.39
USP2 O75604 3/20 0.32
TSHR P16473 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
ALDH1A1 P00352 4/20 0.31
TRPC5 Q9UL62 3/20 0.31
HSD17B10 Q99714 2/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL8117483 0.83 MTNR1A (0.58) MTNR1AMTNR1BUSP2TSHRNPSR1
SCHEMBL8124550 0.83 MTNR1A (0.48) MTNR1AMTNR1BMAPTALDH1A1NPC1
SCHEMBL8132541 0.78 MTNR1A (0.46) MTNR1AMTNR1BMAPTUSP2TSHR
SCHEMBL8131451 0.76 MTNR1A (0.63) MTNR1AMTNR1B
SCHEMBL8123672 0.76 MTNR1A (0.74) MTNR1AMTNR1B
SCHEMBL8133947 0.68 MTNR1A (0.58) MTNR1AMTNR1BMAPTALDH1A1NPC1
SCHEMBL11637718 0.67 EYA3 (0.42) MAPTUSP2TSHRALDH1A1HSD17B10
SCHEMBL8128784 0.67 MTNR1A (0.60) MTNR1AMTNR1B
SCHEMBL8126457 0.65 MTNR1A (0.53) MTNR1AMTNR1BMAPTALDH1A1NPC1
SCHEMBL7756353 0.65 TP53 (0.49) MTNR1AMAPTUSP2TSHRNPSR1

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