SCHEMBL7937873

SCHEMBL7937873

COc1ccc2c(c1)NCC2C(=O)C(=O)N(CCCN1CCCC1)CC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.41
HTR2C P28335 5/20 0.41
HTR7 P34969 5/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
ROCK2 O75116 2/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2A P08913 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL7992668 0.88 SIGMAR1 (0.45) HTR2AHTR2CHTR7HRH3
SCHEMBL7969063 0.86 CYP2D6 (0.42) KDM4EALDH1A1KMT2APOLBMAPT
SCHEMBL7945535 0.86 KDM4E (0.41) HTR2AKDM4EALDH1A1KMT2AHRH3
SCHEMBL7945174 0.85 HTR2A (0.40) HTR2AHTR2CHTR7DRD2
SCHEMBL7947285 0.84 HPGD (0.36) ALDH1A1KMT2APOLB
SCHEMBL7948263 0.84 HPGD (0.36) ALDH1A1KMT2APOLB
SCHEMBL7969073 0.83 MTNR1B (0.35) KDM4EALDH1A1KMT2APOLB
SCHEMBL7947164 0.82 PLA2G2A (0.37) ALDH1A1KMT2APOLBMAPT
SCHEMBL7938360 0.81 POLB (0.36) ALDH1A1KMT2APOLBMAPT
SCHEMBL7948614 0.81 POLB (0.40) KDM4EALDH1A1POLBMAPT

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