SCHEMBL20525547

SCHEMBL20525547

CC(N)CNC(C)c1cccc(C(C)NCC(C)N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.47
APAF1 O14727 1/20 0.44
CASR P41180 4/20 0.41
SLC6A2 P23975 3/20 0.40
CYP3A4 P08684 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
SMPD1 P17405 1/20 0.40
DRD1 P21728 1/20 0.40
TBXA2R P21731 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
HTR2B P41595 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL17509718 0.86 ANPEP (0.62) ANPEPAPAF1CASRSLC6A2CYP3A4
SCHEMBL20525326 0.83 ANPEP (0.49) ANPEPAPAF1CASRSLC6A2CYP3A4
SCHEMBL18575542 0.76 CASR (0.48) ANPEPAPAF1CASRSLC6A2CYP3A4
SCHEMBL20525463 0.75 ANPEP (0.42) ANPEPAPAF1SLC6A2SLC6A4SLC6A3
SCHEMBL10935439 0.74 ADRB2 (0.48) ANPEPAPAF1SLC6A2CYP3A4SLC6A4
SCHEMBL17509721 0.73 MTOR (0.56) ANPEPSLC6A2CYP3A4SLC6A4SLC6A3
SCHEMBL6470679 0.72 ANPEP (0.60) ANPEPAPAF1CASRSLC6A2CYP3A4
SCHEMBL17509729 0.72 CA1 (0.51) ANPEPCASRSLC6A4OPRM1LMNA
SCHEMBL11877401 0.71 CASR (0.73) CASRSLC6A2CYP3A4SLC6A4SLC6A3
SCHEMBL11442806 0.71 ANPEP (0.40) ANPEPAPAF1CASRSLC6A2CYP3A4

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-3180382-B1 AMINE FOR LOW-EMISSION EPOXY RESIN COMPOSITIONS SIKA TECH AG (CH) 2018-10-10 EP disclosed