SCHEMBL3804191

SCHEMBL3804191

Cc1n[nH]cc1-c1cc[c]c(OCCN2CCOCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.42
NPC1 O15118 2/20 0.41
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
MAOA P21397 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GPR55 Q9Y2T6 1/20 0.40
ACHE P22303 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HIF1A Q16665 1/20 0.38
CHEK1 O14757 1/20 0.38
KIT P10721 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
SCHEMBL3807780 0.90 HTR3A (0.41) ACHEPOLBALDH1A1KDM4E
SCHEMBL3804205 0.80 RAB9A (0.40) NPC1MEN1KMT2APOLBALDH1A1
SCHEMBL3805844 0.79 KDR (0.48) SYKNPC1ALDH1A1RAB9AKDM4E
SCHEMBL3808118 0.79 MAOA (0.32) MAOA
SCHEMBL1570498 0.78 NPC1 (0.45) SYKNPC1CNR1CNR2MAOA
SCHEMBL28424129 0.77 NPC1 (0.60) NPC1MEN1KMT2APOLBRAB9A
SCHEMBL3809961 0.75 CDC7 (0.35) MAOAALDH1A1KDM4E
SCHEMBL29042014 0.73 KDM4E (0.47) SYKNPC1MAOAMEN1KMT2A
SCHEMBL15474792 0.72 SYK (0.46) SYKNPC1MEN1KMT2APOLB
SCHEMBL28431640 0.71 NPC1 (0.52) NPC1POLBALDH1A1RAB9AKDM4E

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-2234618-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS The Scripps Research Institute (US) 2010-10-06 EP disclosed
WO-2009079008-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS FENG YANGBO (US) 2009-06-25 WO disclosed