SCHEMBL9764527

SCHEMBL9764527

c1ccc(CNCCCCCCOCCc2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.48
MAOA P21397 1/20 0.46
CHRM2 P08172 1/20 0.44
MAPT P10636 2/20 0.44
BCHE P06276 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
ASAH1 Q13510 1/20 0.41
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL9763258 0.91 SIGMAR1 (0.50) SIGMAR1MAOACHRM2MAPTBCHE
SCHEMBL9763777 0.90 SIGMAR1 (0.49) SIGMAR1MAOACHRM2MAPTBCHE
SCHEMBL24641663 0.83 MAPT (0.57) SIGMAR1MAPTBCHEL3MBTL1RAB9A
SCHEMBL10477755 0.83 SIGMAR1 (0.69) SIGMAR1MAOACHRM2MAPTBCHE
SCHEMBL9764394 0.83 SIGMAR1 (0.69) SIGMAR1MAOACHRM2MAPTBCHE
Hydrochloric Acid SCHEMBL9258435 0.81 SIGMAR1 (0.67) SIGMAR1MAOACHRM2MAPTBCHE
SCHEMBL9764418 0.81 SLC13A5 (0.47) MAPTL3MBTL1ASAH1RAB9ASMN1; SMN2
SCHEMBL10898026 0.79 L3MBTL1 (0.46) SIGMAR1MAOACHRM2MAPTBCHE
SCHEMBL10464983 0.78 CHRM2 (0.59) SIGMAR1MAOACHRM2BCHE
SCHEMBL27716955 0.78 SIGMAR1 (0.58) SIGMAR1MAOACHRM2BCHE

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-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-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