SCHEMBL9054868

SCHEMBL9054868

CC1CCN(C(=O)[C@@H](N)CCC(N)c2ncc[nH]2)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 2/20 0.39
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
CCR10 P46092 5/20 0.37
DPP7 Q9UHL4 5/20 0.36
F2 P00734 1/20 0.35
HPGD P15428 2/20 0.35
DPP4 P27487 1/20 0.34
NLN Q9BYT8 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
SCHEMBL9054873 1.00 F2RL1 (0.39) F2RL1MEN1ALDH1A1KMT2ACCR10
SCHEMBL9054640 0.78 ITGB3 (0.42) CCR10DPP7F2DPP4
SCHEMBL9054465 0.77 CCR10 (0.68) CCR10
SCHEMBL9054473 0.77 CCR10 (0.68) CCR10
SCHEMBL9065342 0.76 CCR10 (0.58) CCR10F2
SCHEMBL9055806 0.74 CCR10 (0.66) CCR10F2
SCHEMBL9055846 0.74 CCR10 (0.66) CCR10F2
SCHEMBL9065789 0.72 CCR10 (0.65) CCR10F2
SCHEMBL9065791 0.72 CCR10 (0.65) CCR10F2
SCHEMBL1077340 0.71 CCR10 (0.53) MEN1ALDH1A1KMT2ACCR10DPP7

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