SCHEMBL28015193

SCHEMBL28015193

NN1CCN(C/C=C/c2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.62
MAPK1 P28482 5/20 0.62
HIF1A Q16665 4/20 0.62
CYP2D6 P10635 4/20 0.62
CYP3A4 P08684 3/20 0.62
ALDH1A1 P00352 3/20 0.62
CYP1A2 P05177 3/20 0.62
CYP2C9 P11712 3/20 0.62
OPRM1 P35372 3/20 0.62
NPSR1 Q6W5P4 3/20 0.62
CHRM2 P08172 2/20 0.62
CHRM4 P08173 2/20 0.62
HTR1A P08908 2/20 0.62
CHRM5 P08912 2/20 0.62
ADRA2A P08913 2/20 0.62
ADORA3 P0DMS8 2/20 0.62
CHRM1 P11229 2/20 0.62
DRD2 P14416 2/20 0.62
ADRA2B P18089 2/20 0.62
ADRA2C P18825 2/20 0.62

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
SCHEMBL7261524 1.00 LMNA (0.62) LMNAMAPK1HIF1ACYP2D6CYP3A4
Alcohol SCHEMBL28193502 0.92 ALDH1A1 (0.56) LMNAMAPK1HIF1ACYP2D6CYP3A4
Alcohol SCHEMBL28193504 0.92 ALDH1A1 (0.56) LMNAMAPK1HIF1ACYP2D6CYP3A4
SCHEMBL2579539 0.91 LMNA (0.72) LMNAMAPK1HIF1ACYP2D6CYP3A4
SCHEMBL613704 0.83 LTA4H (0.77) LMNAMAPK1HIF1ACYP2D6CYP3A4
SCHEMBL11036914 0.83 LTA4H (0.77) LMNAMAPK1HIF1ACYP2D6CYP3A4
SCHEMBL9733074 0.83 MAPK1 (0.61) LMNAMAPK1HIF1ACYP2D6CYP3A4
SCHEMBL9733076 0.83 MAPK1 (0.61) LMNAMAPK1HIF1ACYP2D6CYP3A4
SCHEMBL5961390 0.82 SIGMAR1 (0.75) LMNAMAPK1HIF1ACYP2D6CYP3A4
SCHEMBL27580427 0.82 ALDH1A1 (0.63) LMNAMAPK1HIF1ACYP2D6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107840854-A Use and preparation method of 3- (4-cinnamyl-1-piperazinyl) amino derivative of 3-formylrifamycin SV 阿迪帕姆单人股份公司 2018-03-27 CN claimed
CN-104736152-A Pharmaceutical formulations comprising 3- (4-cinnamyl-1-piperazinyl) amino derivatives of 3-formylrifamycin SV and 3-formylrifamycin S and processes for their preparation ADIPHARM EAD 2015-06-24 CN claimed
CN-104736152-A Pharmaceutical formulations comprising 3- (4-cinnamyl-1-piperazinyl) amino derivatives of 3-formylrifamycin SV and 3-formylrifamycin S and processes for their preparation ADIPHARM EAD 2015-06-24 CN disclosed