SCHEMBL15534859

SCHEMBL15534859

O=C(O)N1CCC(c2ccnc(Cl)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 1/20 0.47
SCD5 Q86SK9 7/20 0.42
QDPR P09417 2/20 0.41
SPR P35270 2/20 0.40
SCD O00767 2/20 0.40
LMNA P02545 2/20 0.40
HSD11B1 P28845 2/20 0.39
IDO1 P14902 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL23089202 0.85 PROKR1 (0.49) PROKR1SCD5SCDHDAC3HDAC4
SCHEMBL15535562 0.82 GABRP (0.42) SCD5QDPRSCDLMNAHDAC3
SCHEMBL23212044 0.82 HDAC4 (0.53) PROKR1SCD5QDPRSCDLMNA
SCHEMBL14239639 0.80 GPR119 (0.50)
SCHEMBL15689645 0.79 RECQL (0.41) PROKR1IDO1HDAC3HDAC4HDAC7
SCHEMBL20744468 0.79
SCHEMBL4846274 0.78 LMNA (0.62) PROKR1SCD5SPRSCDLMNA
SCHEMBL1856770 0.78 LMNA (0.55) SCD5SPRSCDLMNAHSD11B1
SCHEMBL2661814 0.76 EPHX2 (0.44) SCD5
SCHEMBL15535084 0.75 PROKR1 (0.43) PROKR1QDPRSPRLMNAHSD11B1

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-2852584-A1 SUBSTITUTED DIPYRIDYLAMINES AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2015-04-01 EP disclosed
WO-2013174780-A1 SUBSTITUTED DIPYRIDYLAMINES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2013-11-28 WO disclosed