SCHEMBL9044939

SCHEMBL9044939

c1nc2n(n1)CCNC2CN1CCCC1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 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
SCHEMBL9043752 0.76 CHEK1 (0.30) CHEK1
SCHEMBL5232400 0.70
SCHEMBL8819209 0.63 RAB9A (0.46)
SCHEMBL9866845 0.59 DRD1 (0.42)
SCHEMBL3453173 0.58 OPRM1 (0.56)
SCHEMBL5232434 0.58
SCHEMBL329925 0.58 OPRM1 (0.57)
SCHEMBL9206816 0.58 GID4 (0.43)
SCHEMBL329828 0.58 OPRM1 (0.57)
SCHEMBL330238 0.58 OPRM1 (0.57)

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