SCHEMBL8876012

SCHEMBL8876012

C(CNCCCN1CC1)CNCCCN1CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.56
PAOX Q6QHF9 1/20 0.43
SCN5A Q14524 2/20 0.42
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
HPGD P15428 1/20 0.39
DUSP3 P51452 1/20 0.39
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 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
SCHEMBL5672803 0.97 ACE2 (0.59) ACE2PAOXSCN5ATP53SMN1; SMN2
SCHEMBL8875471 0.94 ACE2 (0.56) ACE2PAOXSCN5ATP53SMN1; SMN2
SCHEMBL17526233 0.89 HRH3 (0.55) ACE2PAOXSCN5ASMN1; SMN2HRH3
SCHEMBL4392341 0.87 ACE2 (0.50) ACE2PAOXSCN5ATP53SMN1; SMN2
SCHEMBL5910693 0.86 HRH3 (0.57) ACE2PAOXSCN5ASMN1; SMN2HRH3
SCHEMBL13822725 0.85 ACE2 (0.48) ACE2PAOXSCN5ATP53SMN1; SMN2
SCHEMBL4396749 0.85 ACE2 (0.48) ACE2PAOXTP53SMN1; SMN2
SCHEMBL4393776 0.85 ACE2 (0.48) ACE2PAOXTP53SMN1; SMN2
SCHEMBL4396790 0.85 ACE2 (0.48) ACE2PAOXTP53SMN1; SMN2KDM1A
SCHEMBL18121254 0.85 ACE2 (0.48) ACE2PAOXTP53SMN1; SMN2

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-5612329-A INTERFERENCE WITH CELL GROWTH AND PROLIFERATION UNIVERSITY OF MARYLAND AT BALTIMORE (US) 1997-03-18 US disclosed