SCHEMBL9763372

SCHEMBL9763372

O=[N+]([O-])c1ccc(CCOCCCCCCNCc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.64
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
SIGMAR1 Q99720 4/20 0.51
KDM4E B2RXH2 1/20 0.51
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
MAOA P21397 1/20 0.49
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
PTPRF P10586 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47

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
SCHEMBL10477830 0.95 CHRM2 (0.64) CHRM2MEN1KMT2AHDAC3HDAC1
SCHEMBL9763701 0.88 CHRM2 (0.51) CHRM2MEN1KMT2AHDAC3HDAC1
SCHEMBL6964849 0.86 MEN1 (0.72) CHRM2MEN1KMT2AHDAC3HDAC1
SCHEMBL9764394 0.85 SIGMAR1 (0.69) CHRM2MEN1KMT2ASIGMAR1MAOA
SCHEMBL10477755 0.85 SIGMAR1 (0.69) CHRM2MEN1KMT2ASIGMAR1MAOA
Hydrochloric Acid SCHEMBL9258435 0.84 SIGMAR1 (0.67) CHRM2MEN1KMT2ASIGMAR1MAOA
SCHEMBL9763489 0.82 CHRM2 (0.50) CHRM2MEN1KMT2AHDAC3HDAC1
SCHEMBL2892762 0.81 MEN1 (0.89) CHRM2MEN1KMT2AHDAC3HDAC1
SCHEMBL27716955 0.81 SIGMAR1 (0.58) CHRM2SIGMAR1MAOADRD4BCHE
SCHEMBL10464983 0.81 CHRM2 (0.59) CHRM2SIGMAR1KDM4EMAOABCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5006556-A Dichloroaniline derivatives for the therapy or prophylaxysis of a disease associated with reversible airway obstruction GLAXO GROUP LIMITED (GB) 1991-04-09 US disclosed
US-4990505-A Treating asthma, bronchitis; adrenergic stimulants GLAXO GROUP LIMITED (GB) 1991-02-05 US disclosed
US-4943591-A TREATMENT OF ASTHMA AND BRONCHITIS GLAXO GROUP LIMITED (GB) 1990-07-24 US disclosed
EP-0181709-B1 DICHLOROANILINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1990-05-09 EP disclosed
EP-0181709-A1 Dichloroaniline Derivatives GLAXO GROUP LIMITED (GB) 1986-05-21 EP disclosed