SCHEMBL3245030

SCHEMBL3245030

Oc1cc(CN2CCc3ccccc3C2)on1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.52
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
HTT P42858 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
LMNA P02545 2/20 0.46
ALOX12 P18054 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
GAA P10253 2/20 0.46
OPRK1 P41145 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
HSP90AA1 P07900 1/20 0.45

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
SCHEMBL14135894 0.83 CD44 (0.50) PKMKDM4EMAPTHTTNPSR1
SCHEMBL3245800 0.81 ABCB1 (0.47) KDM4EDRD3DRD4PRMT5HTR1A
SCHEMBL7650321 0.81 PRMT5 (0.53) PKMMAPTLMNASMN1; SMN2TDP1
SCHEMBL4665512 0.75 PRMT5 (0.52) PKMKDM4EMAPTHTTSMN1; SMN2
SCHEMBL30090261 0.72 PKM (0.52) PKMKDM4EMAPTHTTNPSR1
SCHEMBL13254299 0.72 MEN1 (0.51) PKMKDM4EMAPTHTTNPSR1
SCHEMBL20300185 0.72 PKM (0.52) PKMKDM4EMAPTHTTNPSR1
SCHEMBL4794429 0.71 CA12 (0.59) MAPTHTTALDH1A1SMN1; SMN2MEN1
SCHEMBL14135895 0.71 MEN1 (0.45) PKMKDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL13254301 0.71 HTT (0.55) PKMMAPTHTTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1227803-B1 COMPOUNDS FOR INHIBITING IAPP-ASSOCIATED AMYLOID DEPOSITS BELLUS HEALTH INTERNATIONAL LTD (CH) 2010-05-05 EP claimed
US-6562836-B1 Islet amyloid polypeptide (IAPP) is known to be capable of forming fibrils which are deposited in the pancreas of patients wtih type II diabetes QUEEN'S UNIVERSITY OF KINGSTON (CA) 2003-05-13 US claimed
US-7393875-B2 Reducing islet amyloid polypeptide (IAPP) associated deposit; type II diabetes NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-07-01 US disclosed