SCHEMBL5884528

SCHEMBL5884528

O=Cc1ccc(OCCC2CCCCN2c2ccc(Cl)nn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.39
HCRTR1 O43613 5/20 0.39
AXL P30530 1/20 0.37
HCRTR2 O43614 4/20 0.36
CYP1A2 P05177 1/20 0.36
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRNB3 Q05901 1/20 0.35
PPARG P37231 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LTA4H P09960 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL7492587 0.80 LMNA (0.45) CYP1A2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4118891 0.75 HRH3 (0.48) ALDH1A1HRH3
SCHEMBL4128207 0.72 HRH3 (0.50) CHRNB1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1300352 0.69 NFE2L2 (0.61) ALDH1A1HRH3
SCHEMBL8509290 0.68 KDM4E (0.46) CHRNB1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8509285 0.68 KDM4E (0.46) CHRNB1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7493508 0.68 TEAD1 (0.39) ALDH1A1
SCHEMBL7486949 0.68 GPR119 (0.40) ALDH1A1
SCHEMBL1299967 0.67 NFE2L2 (0.64) ALDH1A1HRH3
SCHEMBL8508526 0.67 PDE10A (0.47) AXLCHRNB1CHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7078403-B1 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2006-07-18 US disclosed