SCHEMBL9764394

SCHEMBL9764394

c1ccc(CCOCCCCCNCc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.69
MAOA P21397 1/20 0.67
CHRM2 P08172 1/20 0.65
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
BCHE P06276 2/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL10477755 1.00 SIGMAR1 (0.69) SIGMAR1MAOACHRM2GAAMAPT
Hydrochloric Acid SCHEMBL9258435 0.98 SIGMAR1 (0.67) SIGMAR1MAOACHRM2GAAMAPT
SCHEMBL456614 0.93 SIGMAR1 (0.80) SIGMAR1MAOACHRM2GAAMAPT
SCHEMBL9666404 0.93 SIGMAR1 (0.74) SIGMAR1MAOACHRM2GAAMAPT
SCHEMBL10952736 0.93 MAOA (0.77) SIGMAR1MAOACHRM2GAAMAPT
Bromide SCHEMBL9578037 0.92 SIGMAR1 (0.72) SIGMAR1MAOACHRM2GAAMAPT
Bromide SCHEMBL7121198 0.92 SIGMAR1 (0.77) SIGMAR1MAOACHRM2GAAMAPT
Hydrochloric Acid SCHEMBL9260556 0.92 SIGMAR1 (0.72) SIGMAR1MAOACHRM2GAAMAPT
Hydrochloric Acid SCHEMBL454214 0.92 SIGMAR1 (0.77) SIGMAR1MAOACHRM2GAAMAPT
Hydrochloric Acid SCHEMBL9257562 0.92 SIGMAR1 (0.77) SIGMAR1MAOACHRM2GAAMAPT

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 6 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-4959381-A ADRENERGIC STIMULANTS GLAXO GROUP LIMITED (GB) 1990-09-25 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-0278727-A2 1-(4-Amino-3-chloro-5-trifluoromethylphenyl)-2-(substituted amino)ethanol derivatives and their use in the treatment of respiratory disease GLAXO GROUP LIMITED (GB) 1988-08-17 EP disclosed
EP-0181709-A1 Dichloroaniline Derivatives GLAXO GROUP LIMITED (GB) 1986-05-21 EP disclosed