SCHEMBL29532020

SCHEMBL29532020

c1ccc(OCCCNCC2CCN(CCCOc3ccccc3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 3/20 0.65
SIGMAR1 Q99720 3/20 0.65
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CYP2D6 P10635 1/20 0.54
HRH3 Q9Y5N1 3/20 0.53
CARM1 Q86X55 1/20 0.53
PRMT6 Q96LA8 1/20 0.53
KDM1A O60341 2/20 0.53
POLB P06746 1/20 0.53
DRD2 P14416 2/20 0.52
DRD3 P35462 2/20 0.52
HTR1A P08908 1/20 0.52
HTR2A P28223 1/20 0.52
HRH1 P35367 1/20 0.52
DRD4 P21917 1/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51

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
SCHEMBL8694210 0.84 TMEM97 (0.60) TMEM97SIGMAR1KDM4ECARM1PRMT6
Hydrochloric Acid SCHEMBL8693232 0.83 TMEM97 (0.59) TMEM97SIGMAR1KDM4ECARM1PRMT6
SCHEMBL14100151 0.83 TMEM97 (0.72) TMEM97SIGMAR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL11537473 0.81 SIGMAR1 (0.74) TMEM97SIGMAR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL27877049 0.81 TMEM97 (0.74) TMEM97SIGMAR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL8692602 0.81 TMEM97 (0.63) TMEM97SIGMAR1KDM4ECARM1PRMT6
SCHEMBL21251621 0.80 TMEM97 (0.72) TMEM97SIGMAR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL8689920 0.80 TMEM97 (0.72) TMEM97SIGMAR1CYP2D6HRH3DRD2
SCHEMBL8694338 0.80 TMEM97 (0.69) TMEM97SIGMAR1KDM4E
Hydrochloric Acid SCHEMBL8691470 0.80 TMEM97 (0.61) TMEM97SIGMAR1KDM4ECARM1PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3468960-B1 CHEMICAL COMPOUNDS AS ATF4 PATHWAY INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2022-03-23 EP claimed