SCHEMBL13859570

SCHEMBL13859570

CSCC[C@@H](C(=O)O)N(c1ccc(Cl)cc1)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.40
FNTB P49356 6/20 0.40
CCR1 P32246 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.34
RAB9A P51151 1/20 0.34
RNPEP Q9H4A4 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
PTGIR P43119 1/20 0.33
PTGDR Q13258 1/20 0.33
SLC6A9 P48067 1/20 0.33
MAPK1 P28482 1/20 0.33
C5AR1 P21730 1/20 0.32

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
SCHEMBL15922647 0.84 KDM4E (0.41) FNTAFNTBKDM4ELMNAALOX15
SCHEMBL28911440 0.71 AKR1B1 (0.34) KDM4ELMNAALOX15RNPEPMAPK1
SCHEMBL30082456 0.71 AKR1B1 (0.34) KDM4ELMNAALOX15RNPEPMAPK1
SCHEMBL3405501 0.69 ALDH1A1 (0.40) KDM4ERAB9ACHRM3
SCHEMBL9751048 0.67 KDM4E (0.33) FNTAFNTBKDM4ELMNAALOX15
SCHEMBL3379504 0.66 RNPEP (0.47) FNTAFNTBKDM4ELMNAPKM
SCHEMBL3379508 0.66 RNPEP (0.47) FNTAFNTBKDM4ELMNAPKM
SCHEMBL3381558 0.65 RNPEP (0.50) FNTAFNTBKDM4ELMNAPKM
SCHEMBL3381183 0.65 RNPEP (0.50) FNTAFNTBKDM4ELMNAPKM
SCHEMBL3381561 0.65 RNPEP (0.50) FNTAFNTBKDM4ELMNAPKM

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
EP-2709985-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS Bionomics Limited (AU) 2014-03-26 EP disclosed
WO-2012155199-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS LIMITED (AU) 2012-11-22 WO disclosed