SCHEMBL9052285

SCHEMBL9052285

O=C(C1NCCn2ccnc21)N1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.38
DPP8 Q6V1X1 2/20 0.38
DPP7 Q9UHL4 1/20 0.38
HDAC2 Q92769 1/20 0.35
FAP Q12884 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.32
CCR2 P41597 1/20 0.31
HPSE Q9Y251 1/20 0.31

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
SCHEMBL9052806 0.83 VNN1 (0.35) DPP4DPP8DPP7HPSE
SCHEMBL9046788 0.77 DPP4 (0.39) DPP4DPP8DPP7HDAC2FAP
SCHEMBL9043752 0.71 CHEK1 (0.30)
SCHEMBL929673 0.70 TACR3 (0.37)
SCHEMBL25519257 0.66 HSD11B1 (0.41) HPGD
SCHEMBL9210188 0.65 RAB9A (0.43) DPP4DPP8DPP7HDAC2HPGD
SCHEMBL24936110 0.62
SCHEMBL22776034 0.62 KDM4E (0.46)
SCHEMBL11983395 0.61 BRD4 (0.32) L3MBTL1HPSE
SCHEMBL9208317 0.60 GID4 (0.41) HDAC2L3MBTL1HPGD

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