SCHEMBL5854479

SCHEMBL5854479

c1ccc2c(CNCCCCCNCc3c4ccccc4cc4ccccc34)c3ccccc3cc2c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.48
MAOA P21397 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CHRM2 P08172 2/20 0.47
SLC2A1 P11166 4/20 0.47
ABCB1 P08183 1/20 0.44
CA12 O43570 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
SIGMAR1 Q99720 2/20 0.43

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
SCHEMBL3293925 0.92 KDM4E (0.47) HTR2AMAOAL3MBTL1CHRM2SLC2A1
SCHEMBL14543900 0.92 MC4R (0.50) HTR2AMAOAL3MBTL1CHRM2SLC2A1
SCHEMBL15471003 0.92 SMN1; SMN2 (0.49) SLC2A1ABCB1SIGMAR1
Hydrochloric Acid SCHEMBL15821262 0.90 CYP1A2 (0.49) SLC2A1ABCB1SIGMAR1
SCHEMBL14543898 0.90 HTR2A (0.52) HTR2AL3MBTL1CHRM2ABCB1CA12
SCHEMBL3293888 0.90 KDM4E (0.49) HTR2AL3MBTL1SLC2A1ABCB1
SCHEMBL4109207 0.88 ABCB1 (0.43) HTR2AL3MBTL1CHRM2SLC2A1ABCB1
SCHEMBL10296005 0.88 MC4R (0.50) HTR2ACHRM2CA12CA2CA9
Hydrochloric Acid SCHEMBL5454650 0.88 MC4R (0.50) HTR2AL3MBTL1CHRM2CA12CA2
SCHEMBL4101924 0.88 SLC6A4 (0.45) HTR2AL3MBTL1CHRM2SLC2A1ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045361-B2 Analyte sensing via acridine-based boronate biosensors MEDTRONIC MINIMED, INC. (US) 2006-05-16 US disclosed
US-20050191761-A1 ANALYTE SENSING VIA ACRIDINE-BASED BORONATE BIOSENSORS MEDTRONIC MINIMED INC. 2005-09-01 US disclosed