SCHEMBL30452503

SCHEMBL30452503

NC(=O)Cc1ccc(N2CCCC2)nc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.61
UBE2T Q9NPD8 1/20 0.53
CACNA1H O95180 8/20 0.52
OPRM1 P35372 1/20 0.48
OPRK1 P41145 1/20 0.48
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
ALOX12 P18054 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
WNT3A P56704 1/20 0.44
ME2 P23368 1/20 0.43
ME1 P48163 1/20 0.43
ME3 Q16798 1/20 0.43
KMT2A Q03164 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL2806435 0.86 AOC3 (0.59) AOC3UBE2TCACNA1HMAPTALDH1A1
SCHEMBL17316306 0.83 AOC3 (0.56) AOC3UBE2TCACNA1HOPRM1OPRK1
SCHEMBL2808922 0.79 AOC3 (0.52) AOC3CACNA1HALDH1A1LMNAKMT2A
SCHEMBL10254779 0.78 AOC3 (0.54) AOC3UBE2TOPRM1OPRK1MAPT
SCHEMBL3086082 0.78 AOC3 (0.54) AOC3UBE2TCACNA1HOPRM1OPRK1
SCHEMBL17316414 0.77 AOC3 (0.54) AOC3CACNA1H
SCHEMBL987818 0.77 AOC3 (0.55) AOC3UBE2TCACNA1HMAPTALDH1A1
Hydrochloric Acid SCHEMBL5010436 0.77 AOC3 (0.52) AOC3UBE2TOPRM1OPRK1MAPT
SCHEMBL10254758 0.77 AOC3 (0.55) AOC3UBE2TMAPTALDH1A1LMNA
SCHEMBL1434053 0.76 AOC3 (1.00) AOC3CACNA1H

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
CN-111484479-B Azacyclic compounds, pharmaceutical compositions containing the same, and methods of making and using the same 四川科伦博泰生物医药股份有限公司 2023-06-13 CN disclosed