SCHEMBL13660804

SCHEMBL13660804

CCNCCCCN1CCN(CCN2CCCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.52
CYP2C19 P33261 2/20 0.43
SCN5A Q14524 2/20 0.43
CYP1A2 P05177 1/20 0.43
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
RAD52 P43351 1/20 0.41
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 1/20 0.39
FPR3 P25089 2/20 0.39
FPR2 P25090 2/20 0.39
HRH1 P35367 1/20 0.39
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL13178479 0.96 HRH3 (0.56) HRH3CYP2C19SCN5ACYP1A2CARM1
SCHEMBL13661321 0.94 HRH3 (0.48) HRH3CYP2C19SCN5ACYP1A2CARM1
SCHEMBL7326006 0.94 HRH3 (0.60) HRH3CYP2C19SCN5ACYP1A2CARM1
SCHEMBL13766333 0.94 HRH3 (0.52) HRH3CYP2C19SCN5ACYP1A2CARM1
SCHEMBL21727231 0.90 HRH3 (0.52) HRH3CYP2C19SCN5ACYP1A2CARM1
SCHEMBL9120834 0.90 HRH3 (0.52) HRH3CYP2C19SCN5ACYP1A2CARM1
SCHEMBL12612802 0.90 CYP2C19 (0.52) HRH3CYP2C19CYP1A2MEN1GLA
SCHEMBL6733235 0.88 CARM1 (0.48) HRH3CYP2C19SCN5ACYP1A2CARM1
SCHEMBL16675490 0.87 HRH3 (0.47) HRH3CYP2C19SCN5ACYP1A2CARM1
SCHEMBL14479170 0.84 CYP2C19 (0.46) CYP2C19CYP1A2MEN1GLAKMT2A

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-2009131246-A1 SORDARIN DERIVATIVES FOR PREVENTING OR TREATING INFECTIOUS DISEASES CAUSED BY PATHOGENIC MICROORGANISMS ASTELLAS PHARMA INC. (JP) 2009-10-29 WO disclosed