SCHEMBL9763701

SCHEMBL9763701

O=[N+]([O-])c1cccc(CCOCCCCCCNCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.51
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAOA P21397 1/20 0.47
SIGMAR1 Q99720 4/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL9763372 0.88 CHRM2 (0.64) CHRM2KDM4EMEN1KMT2AMAOA
SCHEMBL10477830 0.83 CHRM2 (0.64) CHRM2KDM4EMEN1KMT2AMAOA
SCHEMBL2572147 0.82 CHRM2 (0.46) CHRM2KDM4EMEN1KMT2AMAPT
SCHEMBL10477755 0.81 SIGMAR1 (0.69) CHRM2MEN1KMT2AMAOASIGMAR1
SCHEMBL9764394 0.81 SIGMAR1 (0.69) CHRM2MEN1KMT2AMAOASIGMAR1
SCHEMBL9763338 0.80 TSHR (0.48) MEN1KMT2AMAOASIGMAR1MAPT
SCHEMBL15264813 0.80 ALDH1A1 (0.61) MEN1KMT2AMAOASIGMAR1MAPT
SCHEMBL18994884 0.80 ALDH1A1 (0.53) CHRM2KDM4EMEN1KMT2AMAOA
Hydrochloric Acid SCHEMBL9258435 0.79 SIGMAR1 (0.67) CHRM2MEN1KMT2AMAOASIGMAR1
SCHEMBL9810822 0.78 TSHR (0.57) MEN1KMT2AMAOASIGMAR1MAPT

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-4990505-A Treating asthma, bronchitis; adrenergic stimulants GLAXO GROUP LIMITED (GB) 1991-02-05 US disclosed