SCHEMBL8133389

SCHEMBL8133389

COc1ccc2oc(CC3CCCCC3)c(CC#N)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.62
MTNR1B P49286 4/20 0.62
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
POLB P06746 3/20 0.39
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 6/20 0.38
HPGD P15428 3/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
NQO1 P15559 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
PLA2G2A P14555 1/20 0.36

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
SCHEMBL8118628 0.78 MTNR1A (0.44) MTNR1AMTNR1BRAB9ANPC1KDM4E
SCHEMBL8133947 0.77 MTNR1A (0.58) MTNR1AMTNR1BRAB9ANPC1KDM4E
SCHEMBL8131732 0.77 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL8128784 0.75 MTNR1A (0.60) MTNR1AMTNR1B
SCHEMBL8117486 0.75 MTNR1A (0.38) MTNR1AMTNR1BRAB9ANPC1POLB
SCHEMBL8125047 0.74 MTNR1A (0.61) MTNR1AMTNR1B
SCHEMBL8132270 0.74 MTNR1A (0.61) MTNR1AMTNR1BRAB9ANPC1KDM4E
SCHEMBL8127457 0.74 MTNR1A (0.63) MTNR1AMTNR1BNQO1
SCHEMBL8127257 0.73 MTNR1A (0.63) MTNR1AMTNR1BRAB9ANPC1
SCHEMBL8124550 0.73 MTNR1A (0.48) MTNR1AMTNR1BRAB9ANPC1POLB

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