SCHEMBL361322

SCHEMBL361322

O=CC(N1CCNCC1)N1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
OPRD1 P41143 1/20 0.31
CHKA P35790 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL4010562 0.93 CA2 (0.35) MEN1KMT2ACYP2D6CYP19A1CA2
SCHEMBL4011999 0.91 CA2 (0.39) MEN1KMT2ACA2CHKAKDM4E
SCHEMBL2073215 0.87 MAPT (0.35) MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL5212672 0.85 MAPT (0.34) MEN1KMT2AKDM4E
SCHEMBL27862956 0.75 CYP2D6 (0.35) MEN1KMT2ACYP2D6CYP19A1
SCHEMBL1821639 0.75 MEN1 (0.33) MEN1KMT2ACYP2D6CYP19A1OPRD1
SCHEMBL6398141 0.75 MEN1 (0.33) MEN1KMT2ACYP2D6CYP19A1
SCHEMBL1819138 0.75 CHRM2 (0.34) MEN1KMT2ACYP2D6CYP19A1OPRD1
SCHEMBL26091887 0.75 FDPS (0.35)
SCHEMBL15013158 0.74 CYP19A1 (0.31) CYP19A1

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
US-8097594-B2 Macrolides and ketolides having antimicrobial activity WOCKHARDT LTD. (IN) 2012-01-17 US disclosed