SCHEMBL7741587

SCHEMBL7741587

CN(C)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.69
LMNA P02545 5/20 0.69
KMT2A Q03164 4/20 0.69
GAA P10253 2/20 0.66
ALDH1A1 P00352 2/20 0.66
NPSR1 Q6W5P4 2/20 0.66
POLB P06746 1/20 0.63
SMN1; SMN2 Q16637 4/20 0.60
RAB9A P51151 2/20 0.60
NPC1 O15118 1/20 0.60
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
THRB P10828 1/20 0.57
MEN1 O00255 3/20 0.57
PKM P14618 2/20 0.57
HTT P42858 3/20 0.56
MAPK1 P28482 2/20 0.54

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
SCHEMBL9725555 0.90 MAPT (0.56) MAPTLMNAKMT2AGAAALDH1A1
SCHEMBL116088 0.85 GAA (0.70) MAPTLMNAKMT2AGAAALDH1A1
SCHEMBL7183888 0.83 MAPT (0.72) MAPTLMNAKMT2AGAAALDH1A1
SCHEMBL5704002 0.82 GAA (0.67) MAPTLMNAKMT2AGAAALDH1A1
SCHEMBL29392652 0.82 GAA (0.67) MAPTLMNAKMT2AGAAALDH1A1
SCHEMBL112411 0.82 GAA (0.67) MAPTLMNAKMT2AGAAALDH1A1
SCHEMBL7746062 0.82 ALDH1A1 (0.71) MAPTLMNAKMT2AGAAALDH1A1
SCHEMBL11197746 0.82 GAA (0.67) MAPTLMNAKMT2AGAAALDH1A1
SCHEMBL7261922 0.82 GAA (0.66) MAPTLMNAKMT2AGAAALDH1A1
SCHEMBL29653763 0.82 GAA (0.66) MAPTLMNAKMT2AGAAALDH1A1

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
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
US-5162318-A Which have pulmonary surfactant secretion promoting activity YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-11-10 US disclosed
EP-0454330-A1 Benzimidazolinone derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-10-30 EP disclosed