SCHEMBL14099871

SCHEMBL14099871

NCC(O)c1ccc(O)c(NC(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 4/20 0.61
▸ BLM P54132 6/20 0.59
▸ KDM4E B2RXH2 6/20 0.59
▸ TDP1 Q9NUW8 6/20 0.59
▸ MAPT P10636 4/20 0.59
▸ NFKB1 P19838 4/20 0.59
▸ RECQL P46063 3/20 0.59
▸ PMP22 Q01453 3/20 0.59
▸ TSHR P16473 3/20 0.59
▸ HIF1A Q16665 3/20 0.59
▸ HSD17B10 Q99714 3/20 0.59
▸ LMNA P02545 2/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ THPO P40225 2/20 0.59
▸ POLB P06746 1/20 0.59
▸ ADRB2 P07550 3/20 0.57
▸ ADRB1 P08588 2/20 0.57
▸ ADRA2A P08913 2/20 0.57
▸ ADRA2B P18089 2/20 0.57
▸ ADRA2C P18825 2/20 0.57

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
SCHEMBL2054517 0.86 ADRB3 (0.63) ADRB3BLMKDM4ETDP1MAPT
SCHEMBL7150607 0.85 ADRB3 (0.58) ADRB3BLMKDM4ETDP1MAPT
SCHEMBL7150572 0.79 ADRB3 (0.55) ADRB3BLMKDM4ETDP1MAPT
Norepinephrine SCHEMBL14940777 0.79 BLM (0.79) ADRB3BLMKDM4ETDP1MAPT
SCHEMBL4816386 0.78 ADRB3 (0.61) ADRB3BLMKDM4ETDP1MAPT
SCHEMBL7168421 0.78 ADRB3 (0.61) ADRB3BLMKDM4ETDP1MAPT
L-Norepinephrine SCHEMBL22551317 0.77 BLM (0.82) ADRB3BLMKDM4ETDP1MAPT
Norepinephrine SCHEMBL22551316 0.77 BLM (0.82) ADRB3BLMKDM4ETDP1MAPT
SCHEMBL3984857 0.76 ADRB3 (1.00) ADRB3ADRB2
SCHEMBL7120011 0.76 ADRB3 (1.00) ADRB3ADRB2

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
WO-2008096129-A1 NITROGEN CONTAINING HETROCYCLIC COMPOUNDS USEFUL AS BIFUNCTIONAL MODULATORS OF M3 RECEPTORS AND BETA- 2 RECEPTORS ARGENTA DISCOVERY LTD (GB) 2008-08-14 — — WO disclosed
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