SCHEMBL8953863

SCHEMBL8953863

CN(C)C(=O)NCc1ccc(COc2cccc(C(=O)C3CCOCC3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
KDM2B Q8NHM5 1/20 0.43
MAOB P27338 5/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
SMPD1 P17405 3/20 0.43
MAOA P21397 2/20 0.42
RAB9A P51151 1/20 0.42
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NR4A2 P43354 4/20 0.41
NR4A1 P22736 1/20 0.41
NR4A3 Q92570 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL8953811 0.86 ALOX5 (0.40) MAOBLMNARAB9ATSHRKMT2A
SCHEMBL8953796 0.83 KMT2A (0.51) ALDH1A1KDM2BMAOBSMPD1MAOA
SCHEMBL8953864 0.82 MAOB (0.47) ALDH1A1KDM2BMAOBSMPD1MAOA
SCHEMBL8953659 0.81 SIRT2 (0.38) ALDH1A1LMNAHPGDRAB9ATSHR
SCHEMBL9308093 0.78 MRGPRX4 (0.51) ALDH1A1KDM2BMAOBNR4A2
SCHEMBL9246947 0.77 ALOX5 (0.62)
SCHEMBL8953753 0.73 L3MBTL1 (0.44) ALDH1A1KDM2BHPGDRAB9AKMT2A
SCHEMBL22717033 0.73 NR4A2 (0.70) ALDH1A1KDM2BMAOBSMPD1NR4A2
SCHEMBL8953777 0.72 MAOB (0.43) ALDH1A1KDM2BMAOBSMPD1MAOA
SCHEMBL8953702 0.72 MAOB (0.43) ALDH1A1KDM2BMAOBSMPD1MAOA

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