SCHEMBL16078965

SCHEMBL16078965

OCCNCCNCCN1CCN(CCNCCO)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.56
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SIGMAR1 Q99720 3/20 0.37
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
PRMT8 Q9NR22 1/20 0.36
DPP7 Q9UHL4 1/20 0.34
KDM1A O60341 1/20 0.34
TERT O14746 1/20 0.33
ANPEP P15144 1/20 0.33
ERAP2 Q6P179 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL21922782 0.97 ACE2 (0.58) ACE2KDM4EALDH1A1SIGMAR1CARM1
SCHEMBL16075889 0.95 ACE2 (0.52) ACE2KDM4EALDH1A1SIGMAR1CARM1
SCHEMBL13187903 0.91 ACE2 (0.48) ACE2KDM4EALDH1A1SIGMAR1CARM1
SCHEMBL17528479 0.91 CARM1 (0.48) ACE2KDM4EALDH1A1SIGMAR1CARM1
SCHEMBL16078964 0.89 ACE2 (0.63) ACE2KDM4EALDH1A1SIGMAR1ANPEP
SCHEMBL18024002 0.89 ACE2 (0.50) ACE2KDM4EALDH1A1SIGMAR1CARM1
SCHEMBL8306450 0.88 CARM1 (0.50) ACE2KDM4EALDH1A1SIGMAR1CARM1
SCHEMBL16920221 0.87 ACE2 (0.79) ACE2KDM4EALDH1A1SIGMAR1LMNA
SCHEMBL8307333 0.86 CARM1 (0.48) ACE2KDM4EALDH1A1SIGMAR1CARM1
SCHEMBL13187875 0.85 ALDH1A1 (0.55) ACE2KDM4EALDH1A1KDM1ACA12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150191645-A1 ANTI-AGGLOMERANTS FOR THE PREVENTION OF HYDRATES Lubrizol Oilfield Solutions, Inc. 2015-07-09 US disclosed
US-20140262319-A1 ENVIRONMENTALLY FRIENDLY PERMANENT QUATERNARIES OF POLYAMINES AND THEIR USE AS CLAY STABILIZERS AND METHODS FOR MAKING AND USING SAME Lubrizol Oilfield Solutions, Inc. 2014-09-18 US disclosed