SCHEMBL8470490

SCHEMBL8470490

N#CC=C1c2ccccc2-c2ccc3c(c21)CCO3

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EED O75530 3/20 0.32
SUZ12 Q15022 3/20 0.32
EZH2 Q15910 3/20 0.32
RBBP4 Q09028 2/20 0.32
AEBP2 Q6ZN18 2/20 0.32
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
GRM5 P41594 1/20 0.30

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
SCHEMBL8613828 1.00 MEN1 (0.34) MEN1KMT2AEEDSUZ12EZH2
SCHEMBL8473758 0.73 PTPRC (0.42) MEN1KMT2AMTNR1AMTNR1BGRM5
SCHEMBL339504 0.70 MTNR1B (0.36) MTNR1AMTNR1B
SCHEMBL1516337 0.70 MTNR1B (0.36) MTNR1AMTNR1B
SCHEMBL339505 0.70 MTNR1B (0.36) MTNR1AMTNR1B
SCHEMBL2435383 0.69 POLB (0.39) MEN1KMT2A
SCHEMBL624687 0.68 MEN1 (0.40) MEN1KMT2AGRM5
SCHEMBL624686 0.68 MEN1 (0.40) MEN1KMT2AGRM5
SCHEMBL29960518 0.68 MEN1 (0.40) MEN1KMT2AGRM5
SCHEMBL4685390 0.68 KIF11 (0.41) MTNR1A

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-5948817-A Polycyclic ethyl alkylamide melatonergic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1999-09-07 US disclosed
WO-1998038991-A1 POLYCYCLIC ETHYL ALKYLAMIDE MELATONERGIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-09-11 WO disclosed