SCHEMBL8458015

SCHEMBL8458015

[CH2]CCNCCNC(C=C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.41
RAB9A P51151 1/20 0.41
GRM7 Q14831 1/20 0.41
ALOX15 P16050 3/20 0.40
CYP3A4 P08684 3/20 0.40
TSHR P16473 1/20 0.40
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KCNH2 Q12809 3/20 0.34
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CYP2C19 P33261 2/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
ADORA3 P0DMS8 1/20 0.32

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
SCHEMBL4445401 0.88 MTOR (0.52) MTORRAB9AGRM7ALOX15CYP3A4
SCHEMBL10537184 0.85 MTOR (0.40) MTORRAB9AGRM7ALOX15CYP3A4
Hydrochloric Acid SCHEMBL7126952 0.84 ALOX15 (0.42) MTORRAB9AGRM7ALOX15CYP3A4
SCHEMBL10989196 0.77 RAB9A (0.41) MTORRAB9AGRM7ALOX15CYP3A4
SCHEMBL645257 0.76 GRIN1 (0.35) MTORRAB9AGRM7ALOX15CYP3A4
Hydrochloric Acid SCHEMBL9769539 0.76 CYP3A4 (0.42) MTORRAB9AGRM7ALOX15CYP3A4
SCHEMBL16894027 0.75 GRIN1 (0.34) MTORRAB9AGRM7ALOX15CYP3A4
Hydrochloric Acid SCHEMBL5894237 0.75 ALDH1A1 (0.34) ALOX15CYP3A4TSHRGRIN1GRIN2A
Hydrochloric Acid SCHEMBL1475959 0.75 ALDH1A1 (0.34) ALOX15CYP3A4TSHRGRIN1GRIN2A
SCHEMBL8979447 0.74 CYP2C19 (0.36) MTORRAB9AGRM7ALOX15CYP3A4

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-0918062-A1 ROOM TEMPERATURE SETTING COMPOSITIONS Asahi Glass Company Ltd. (JP) 1999-05-26 EP disclosed