SCHEMBL27985293

SCHEMBL27985293

[CH2]CCNCCNC(C(=C)C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.39
RAB9A P51151 1/20 0.39
GRM7 Q14831 1/20 0.39
CYP3A4 P08684 3/20 0.38
ALOX15 P16050 2/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
KDM4E B2RXH2 2/20 0.33
KCNH2 Q12809 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL10984487 0.80 ALDH1A1 (0.48) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL962275 0.78 SMN1; SMN2 (0.36) SMN1; SMN2GRIN1GRIN2AHTR1ASLC6A2
SCHEMBL961897 0.77 SMN1; SMN2 (0.36) SMN1; SMN2GRIN1GRIN2AALDH1A1
SCHEMBL9101144 0.77 ALDH1A1 (0.40) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL10984756 0.76 HPGD (0.39) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL8458015 0.71 MTOR (0.41) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL14048128 0.70 ADRA2C (0.50) CYP3A4ALOX15TSHRKDM4EHPGD
SCHEMBL14015971 0.66 MTOR (0.52) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL10983200 0.66 SLC6A4 (0.39) RAB9ACYP3A4ALOX15TSHRMTNR1A
SCHEMBL9035365 0.65 CYP3A4 (0.66) MTORRAB9AGRM7CYP3A4ALOX15

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
CN-104205247-A Conductive member and method for producing same FUJIFILM CORP 2014-12-10 CN disclosed