SCHEMBL9054640

SCHEMBL9054640

CC1CCN(C(=O)[C@@H](N)CCCNc2ncc[nH]2)CC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
DPP7 Q9UHL4 7/20 0.40
DPP4 P27487 2/20 0.40
F2 P00734 4/20 0.39
TLR9 Q9NR96 3/20 0.38
TLR8 Q9NR97 3/20 0.38
TLR7 Q9NYK1 3/20 0.38
CCR10 P46092 2/20 0.35

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
SCHEMBL7330894 0.82 DPP7 (0.44) DPP7DPP4F2TLR9TLR8
SCHEMBL7330876 0.82 DPP7 (0.44) DPP7DPP4F2TLR9TLR8
SCHEMBL7331189 0.79 F2 (0.56) ITGB3ITGA2BDPP7DPP4F2
SCHEMBL9054873 0.78 F2RL1 (0.39) DPP7DPP4F2CCR10
SCHEMBL9054868 0.78 F2RL1 (0.39) DPP7DPP4F2CCR10
SCHEMBL9061843 0.77 CCR10 (0.65) F2CCR10
SCHEMBL2377257 0.76 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL20539968 0.76 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL7331163 0.76 F2 (0.61) DPP7DPP4F2TLR9TLR8
SCHEMBL7331176 0.76 F2 (0.61) DPP7DPP4F2TLR9TLR8

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
WO-1996002517-A1 SUBSTITUTED ARYLSULFONAMIDES, THEIR PREPARATION AND USE AS THROMBIN-INHIBITING MEDICAMENTS DR. KARL THOMAE GMBH (DE) 1996-02-01 WO disclosed