SCHEMBL9044128

SCHEMBL9044128

O=C(c1nccn2ccnc12)N1CCC(O)C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.40
ACKR3 P25106 5/20 0.39
HPGD P15428 1/20 0.38
ADORA2B P29275 8/20 0.37
ADORA2A P29274 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
HDAC4 P56524 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36

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
SCHEMBL9053116 0.79 HPGD (0.40) ACKR3HPGD
SCHEMBL9044008 0.77 DPP4 (0.48) VNN1HPGDADORA2BADORA2AHDAC4
SCHEMBL3723757 0.73 VNN1 (0.40) VNN1HPGDADORA2BADORA2AADORA3
SCHEMBL17350579 0.73 HSD11B1 (0.48) VNN1HPGDHDAC4
SCHEMBL29688509 0.68 L3MBTL1 (0.66) VNN1
SCHEMBL7381076 0.68 L3MBTL1 (0.66) VNN1
SCHEMBL3528247 0.67 NUDT1 (0.45) ADORA3
SCHEMBL34463038 0.66 PDK2 (0.49) VNN1HPGDADORA2BHDAC4
SCHEMBL21212226 0.66 PROKR1 (0.62) VNN1HPGD
SCHEMBL34462951 0.66 PDK2 (0.49) VNN1HPGDADORA2BHDAC4

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-0743944-A1 AZACYCLIC DERIVATIVES SmithKline Beecham Farmaceutici S.p.A. (IT) 1996-11-27 EP disclosed
WO-1995021843-A1 AZACYCLIC DERIVATIVES SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) 1995-08-17 WO disclosed