SCHEMBL17484763

SCHEMBL17484763

NCCCNC(=O)C1CCC(=O)N1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.39
PRCP P42785 2/20 0.39
HTR1A P08908 2/20 0.37
HTR2A P28223 2/20 0.37
DRD3 P35462 2/20 0.37
GAA P10253 1/20 0.34

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
SCHEMBL26508171 0.94 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2APOLBPRCP
SCHEMBL26508178 0.94 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2APOLBPRCP
SCHEMBL26508419 0.94 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2APOLBPRCP
SCHEMBL9548202 0.90 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2APOLBPRCP
SCHEMBL9548200 0.90 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2APOLBPRCP
SCHEMBL7519156 0.90 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2APOLBPRCP
SCHEMBL7519164 0.90 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2APOLBPRCP
SCHEMBL9548201 0.87 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2APOLBPRCP
SCHEMBL9548205 0.87 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2APOLBPRCP
SCHEMBL5101105 0.84 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2APOLBPRCP

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
WO-2016016168-A1 COMPOSITION FOR MODULATING THE ACTIVITY OF NON-STRUCTURAL PROTEINS EBERHARD KARLS UNIVERSITAET TUEBINGEN MEDIZINISCHE FAKULTAET (DE) 2016-02-04 WO disclosed