SCHEMBL9574248

SCHEMBL9574248

Fc1ccc(CCOCCCCCBr)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.39
SIRT2 Q8IXJ6 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAOB P27338 2/20 0.35
ELOVL1 Q9BW60 1/20 0.35
IDO1 P14902 1/20 0.34
AGXT P21549 1/20 0.34
AOC3 Q16853 1/20 0.34
CHRM2 P08172 1/20 0.34

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
SCHEMBL7228810 0.98 TAAR1 (0.41) TAAR1SIRT2KCNH2MAOBELOVL1
SCHEMBL9574237 0.93 TAAR1 (0.39) TAAR1SIRT2KCNH2MAOBCHRM2
SCHEMBL7239327 0.85 TAAR1 (0.42) TAAR1KCNH2MAOBIDO1AGXT
SCHEMBL7230360 0.84 IDO1 (0.44) MAOBIDO1AGXT
SCHEMBL7741926 0.84 IDO1 (0.44) MAOBIDO1AGXT
SCHEMBL8722410 0.83 TAAR1 (0.46) TAAR1MAOBIDO1AGXT
SCHEMBL11669981 0.83 TAAR1 (0.46) TAAR1MAOBIDO1AGXT
SCHEMBL28367193 0.82 TAAR1 (0.54) TAAR1MAOBELOVL1IDO1AGXT
SCHEMBL9574215 0.82 KCNH2 (0.43) TAAR1KCNH2
SCHEMBL9764482 0.82 KCNH2 (0.54) TAAR1KCNH2IDO1AGXTCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5243076-A Adrenergic stimulant intermediates GLAXO GROUP LTD. 1993-09-07 US disclosed
US-5225445-A Respiratory system disorders GLAXO GROUP LTD. 1993-07-06 US disclosed
US-5126375-A Asthma, chronic bronchitis GLAXO GROUP LTD. (GB) 1992-06-30 US disclosed
US-5091422-A Treating inflammatory or allergic skin disease, lowering gastric acidity GLAXO GROUP LIMITED (GB) 1992-02-25 US disclosed
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-4992474-A Adrenergic stimulants GLAXO GROUP LTD. (GB) 1991-02-12 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