SCHEMBL17320205

SCHEMBL17320205

CN(C)CCNC(=O)C(C)(C)NO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.44
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
PAOX Q6QHF9 1/20 0.38
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PRMT3 O60678 1/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
PRMT1 Q99873 1/20 0.34
PRMT8 Q9NR22 1/20 0.34
USP2 O75604 1/20 0.34
KMT2A Q03164 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
SCHEMBL13817716 0.84 DNM1 (0.44) DNM1CA1CA2CA12CA9
Hydrochloric Acid SCHEMBL22729345 0.82 DNM1 (0.43) DNM1CA1CA2CA12CA9
SCHEMBL10201790 0.81 DNM1 (0.44) DNM1CA1CA2CA12CA9
SCHEMBL21197493 0.81 DNM1 (0.42) DNM1CA1CA2CA12CA9
SCHEMBL22334966 0.81 DNM1 (0.42) DNM1CA1CA2CA12CA9
SCHEMBL16589743 0.81 DNM1 (0.42) DNM1CA1CA2CA12CA9
SCHEMBL24670688 0.79 DNM1 (0.49) DNM1CA1CA2CA12CA9
SCHEMBL8191038 0.79 DNM1 (0.41) DNM1CA1CA2CA12CA9
SCHEMBL2783100 0.78 SETD7 (0.44) DNM1CA1CA2CA12CA9
SCHEMBL14108219 0.78 DNM1 (0.42) DNM1CA1CA2CA12CA9

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-2952206-A1 PROPHYLACTIC OR THERAPEUTIC DRUG FOR CONSTIPATION Taisho Pharmaceutical Co., Ltd. (JP) 2015-12-09 EP disclosed