SCHEMBL4049413

SCHEMBL4049413

CN1CCN(CCNCI)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.46
KDM1A O60341 1/20 0.42
CARM1 Q86X55 2/20 0.38
PRMT6 Q96LA8 2/20 0.38
PRMT8 Q9NR22 2/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CNR1 P21554 1/20 0.35
PAOX Q6QHF9 1/20 0.34
PRMT1 Q99873 1/20 0.33
KAT2B Q92831 1/20 0.33
HTR4 Q13639 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
DPP7 Q9UHL4 1/20 0.32
MC4R P32245 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PGK1 P00558 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 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
SCHEMBL4395015 0.85 ACE2 (0.61) ACE2KDM1ACARM1PRMT6PRMT8
SCHEMBL18024085 0.84 ACE2 (0.50) ACE2KDM1ACARM1PRMT6PRMT8
SCHEMBL7730804 0.79 ACE2 (0.48) ACE2KDM1ACARM1PRMT6PRMT8
SCHEMBL22416389 0.77 ACE2 (0.52) ACE2KDM1ACARM1PRMT6PRMT8
SCHEMBL18871374 0.77 ACE2 (0.46) ACE2KDM1ACARM1PRMT6PRMT8
SCHEMBL4054338 0.77 ALDH1A1 (0.41) ACE2KDM1AHTR4ALDH1A1TSHR
SCHEMBL19966100 0.76 CARM1 (0.41) ACE2KDM1ACARM1PRMT6PRMT8
SCHEMBL18427293 0.76 CARM1 (0.52) ACE2KDM1ACARM1PRMT6PRMT8
SCHEMBL22416388 0.76 ACE2 (0.83) ACE2KDM1ACARM1PRMT6PRMT8
SCHEMBL18024002 0.76 ACE2 (0.50) ACE2KDM1ACARM1PRMT6PRMT8

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
EP-2038264-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES F.HOFFMANN-LA ROCHE AG (CH) 2009-03-25 EP disclosed
WO-2008000645-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 WO disclosed