SCHEMBL6015098

SCHEMBL6015098

C[C@@H](NC(=O)O)C(=O)N1CCC(N2CN3CN(C)C=C3C2=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.35
ITGA2B P08514 7/20 0.35
TP53 P04637 1/20 0.32
MBOAT4 Q96T53 3/20 0.32
CCR1 P32246 1/20 0.30

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
SCHEMBL6015022 0.89 CCR1 (0.37) CCR1
SCHEMBL6014965 0.88 CCR1 (0.39) TP53CCR1
SCHEMBL6015029 0.87 CCR1 (0.40) CCR1
SCHEMBL6015112 0.86 CCR1 (0.38) TP53CCR1
SCHEMBL3450298 0.86 CCR1 (0.41) CCR1
SCHEMBL3451234 0.85 CCR1 (0.36) CCR1
SCHEMBL6014945 0.85 ENPP2 (0.38) TP53CCR1
SCHEMBL3447895 0.85 F10 (0.39)
SCHEMBL6015073 0.85 CCR1 (0.40) TP53CCR1
SCHEMBL3448413 0.83 CCR1 (0.32) TP53CCR1

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
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 EP disclosed