SCHEMBL8953792

SCHEMBL8953792

CC(=O)N(C)c1ccc(CN(C)c2cccc(ON=CC3CCOCC3)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.35
MTNR1B P49286 7/20 0.35
PPARA Q07869 1/20 0.35
GAA P10253 2/20 0.34
ALDH1A1 P00352 2/20 0.33
GLA P06280 1/20 0.33
NR1H4 Q96RI1 2/20 0.33
ACHE P22303 1/20 0.33
SRD5A1 P18405 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
CCR2 P41597 1/20 0.33
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC2A1 P11166 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL8953694 0.85 RAB9A (0.41) ALDH1A1RAB9A
SCHEMBL8953698 0.85 RAB9A (0.41) ALDH1A1RAB9A
SCHEMBL8953684 0.83 MTNR1A (0.34) MTNR1AMTNR1BGAAALDH1A1SRD5A1
SCHEMBL8953680 0.83 MTNR1A (0.34) MTNR1AMTNR1BGAAALDH1A1SRD5A1
SCHEMBL8953766 0.80 ALOX5 (0.43) MTNR1AMTNR1BALDH1A1POLBSMN1; SMN2
SCHEMBL8953763 0.80 ALOX5 (0.43) MTNR1AMTNR1BALDH1A1POLBSMN1; SMN2
SCHEMBL8953666 0.77 ALOX5 (0.37) PPARARXRA
SCHEMBL8953670 0.77 ALOX5 (0.37) PPARARXRA
SCHEMBL8953794 0.76 PPARA (0.38) PPARAGAAALDH1A1NR1H4RXRA
SCHEMBL8953733 0.75 ALOX5 (0.35) CCR2

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-5484786-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1996-01-16 US disclosed