SCHEMBL8968787

SCHEMBL8968787

CNC(=O)Oc1ccc2c(c1)CN1C(=N2)C2CCC1C2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.41
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
BCHE P06276 2/20 0.34

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
SCHEMBL8969440 0.86 ACHE (0.38) ACHEALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL8968687 0.81 MAOA (0.34) ACHE
SCHEMBL8968531 0.80 ACHE (0.33) ACHE
SCHEMBL8968545 0.79 ACHE (0.39) ACHEALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL8969227 0.78 ACHE (0.49) ACHE
SCHEMBL8968801 0.77 ACHE (0.36) ACHEPDE3BPDE3ABCHE
SCHEMBL8969764 0.75 PDE3B (0.34) PDE3BPDE3A
SCHEMBL8969504 0.73 ACHE (0.40) ACHEPDE3BPDE3A
SCHEMBL8968874 0.70 CTSD (0.41) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8969419 0.70

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-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO disclosed