SCHEMBL7946579

SCHEMBL7946579

COc1ccc2c(c1)NCC2C(=O)C(=O)Cl

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
MTNR1A P48039 2/20 0.36
HTR2C P28335 1/20 0.36
MTNR1B P49286 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
FPR1 P21462 1/20 0.35
FPR2 P25090 1/20 0.35

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
SCHEMBL7089442 0.84 HSPA1A (0.45) MTNR1AHTR2CKDM4EALDH1A1
SCHEMBL22864660 0.83 MAPK1 (0.39) HDAC8MTNR1AFPR1FPR2
SCHEMBL28981598 0.81 MTNR1A (0.36) HDAC8MTNR1AHTR2CKDM4EALDH1A1
SCHEMBL7951889 0.77 KMT2A (0.41) KDM4EALDH1A1
SCHEMBL7982554 0.75 SLC6A9 (0.40)
SCHEMBL7948614 0.75 POLB (0.40) KDM4EALDH1A1
SCHEMBL7944576 0.74 KCNH2 (0.45) CHRNB4CHRNA3MTNR1AMTNR1BALDH1A1
SCHEMBL19644392 0.73 SIRT1 (0.43) HTR2CKDM4EALDH1A1
SCHEMBL7946424 0.73 SMN1; SMN2 (0.32) MTNR1AKDM4EALDH1A1
SCHEMBL7947322 0.73 ALDH1A1 (0.40) KDM4EALDH1A1

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
WO-2010035032-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2010-04-01 WO disclosed
WO-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO disclosed