SCHEMBL7014599

SCHEMBL7014599

O=[N+]([O-])c1ccc(CCNCC(O)COc2ccccc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 15/20 0.81
ADRB3 P13945 15/20 0.81
ADRB2 P07550 8/20 0.81
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
ALDH1A1 P00352 1/20 0.57
PKM P14618 1/20 0.57
MAPK1 P28482 1/20 0.57
KCNH2 Q12809 1/20 0.56

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
SCHEMBL7014595 1.00 ADRB1 (0.81) ADRB1ADRB3ADRB2MEN1KMT2A
SCHEMBL9655116 0.95 ADRB1 (0.74) ADRB1ADRB3ADRB2MEN1KMT2A
SCHEMBL7013581 0.93 ADRB1 (0.71) ADRB1ADRB3ADRB2MEN1KMT2A
SCHEMBL15451481 0.88 ADRB3 (0.66) ADRB1ADRB3ADRB2MEN1KMT2A
SCHEMBL5964090 0.86 ADRB1 (0.62) ADRB1ADRB3ADRB2MEN1KMT2A
SCHEMBL11230720 0.85 ADRB1 (0.67) ADRB1ADRB3ADRB2MEN1KMT2A
SCHEMBL27478454 0.85 ADRB1 (0.78) ADRB1ADRB3ADRB2MEN1KMT2A
SCHEMBL5964618 0.84 ADRB3 (0.61) ADRB1ADRB3ADRB2KMT2AALDH1A1
SCHEMBL9817936 0.84 ADRB1 (0.73) ADRB1ADRB3ADRB2
SCHEMBL4204100 0.83 KCNH2 (0.66) ADRB1ADRB3ADRB2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0972769-B1 NOVEL AMIDE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF YAMANOUCHI PHARMA CO LTD (JP) 2003-04-16 EP disclosed
US-6177454-B1 ANTIDIABETIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-23 US disclosed
US-6048884-A ANTIDIABETIC AGENTS; HYPOGLYCEMIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2000-04-11 US disclosed
EP-0972769-A1 NOVEL AMIDE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2000-01-19 EP disclosed