SCHEMBL8846641

SCHEMBL8846641

CN(C)c1cccc(OCC(=O)NCCO[N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.46
▸ PPARD Q03181 1/20 0.44
▸ MTNR1A P48039 7/20 0.44
▸ MTNR1B P49286 7/20 0.44
▸ HPGD P15428 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ HTT P42858 3/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ NCOA2 Q15596 1/20 0.42
▸ NCOA1 Q15788 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ NR2E3 Q9Y5X4 1/20 0.42
▸ NCOR2 Q9Y618 1/20 0.42

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
SCHEMBL8846503 0.85 PPARD (0.60) PPARDHPGDHTTKMT2AMEN1
SCHEMBL8846839 0.82 GAA (0.50) PPARDCYP1A2CYP2C9CYP2C19NPC1
SCHEMBL8846787 0.81 USP2 (0.62) MTNR1AMTNR1BHPGDCYP1A2CYP2C9
SCHEMBL13627123 0.79 RAB9A (0.59) PRMT5MTNR1AMTNR1BHPGDKDM4E
SCHEMBL8846760 0.74 MEN1 (0.61) CYP1A2CYP2C9CYP2C19KDM4ENPC1
SCHEMBL7508983 0.74 HIF1A (0.52) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL9151895 0.72 ALDH1A1 (0.49) CYP1A2CYP2C9CYP2C19KDM4ENPC1
SCHEMBL8846863 0.72 HSD17B10 (0.70) MTNR1AMTNR1BHPGDKMT2ANPSR1
SCHEMBL7996336 0.72 LMNA (0.63) MTNR1AMTNR1BKDM4EHTTKMT2A
SCHEMBL29955055 0.72 LMNA (0.63) MTNR1AMTNR1BKDM4EHTTKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641768-B1 NITROXYALKYLAMIDE DERIVATIVE SANKYO CO (JP) 1997-07-23 — — EP disclosed
US-5580893-A TREATMENT AND PREVENTION OF ANGINA PECTORIS; SIDE-EFFECT REDUCTION; VASODILATION SANKYO COMPANY, LIMITED (JP) 1996-12-03 — — US disclosed
EP-0641768-A1 NITROXYALKYLAMIDE DERIVATIVE SANKYO COMPANY LIMITED (JP) 1995-03-08 — — EP disclosed
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