SCHEMBL6015073

SCHEMBL6015073

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

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 6/20 0.40
CCKBR P32239 3/20 0.34
P2RY12 Q9H244 1/20 0.31
UBE2N P61088 1/20 0.30
TP53 P04637 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
SCHEMBL6015003 0.94 CCKBR (0.40) CCR1CCKBRP2RY12
SCHEMBL6015112 0.92 CCR1 (0.38) CCR1TP53
SCHEMBL3450145 0.90 CALCRL (0.32) CCR1TP53
SCHEMBL6015148 0.90 UBE2N (0.41) CCR1UBE2N
SCHEMBL3449985 0.89 CCKBR (0.32) CCR1CCKBR
SCHEMBL6015029 0.88 CCR1 (0.40) CCR1CCKBR
SCHEMBL3449253 0.87 CCKBR (0.31) CCR1CCKBR
SCHEMBL3451041 0.86 ALDH1A1 (0.43)
SCHEMBL6015065 0.86 ALDH1A1 (0.43)
SCHEMBL6015098 0.85 ITGB3 (0.35) CCR1TP53

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