SCHEMBL6015075

SCHEMBL6015075

CCCC(NC(=O)O)C(=O)N1CCC(N2Cc3cnc(C)n3C2=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.51
F2 P00734 3/20 0.51
CCR1 P32246 5/20 0.39
CCKBR P32239 1/20 0.33
P2RY12 Q9H244 3/20 0.32
UBE2N P61088 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32
CALCRL Q16602 3/20 0.31
CYP3A4 P08684 2/20 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
SCHEMBL6015069 1.00 F10 (0.51) F10F2CCR1CCKBRP2RY12
SCHEMBL6015007 0.94 F10 (0.49) F10F2CCR1CCKBRP2RY12
SCHEMBL6015001 0.94 F10 (0.49) F10F2CCR1CCKBRP2RY12
SCHEMBL6015113 0.92 F10 (0.52) F10F2CCR1SMYD3
SCHEMBL6015111 0.92 F10 (0.52) F10F2CCR1SMYD3
SCHEMBL6015147 0.90 F10 (0.49) F10F2UBE2N
SCHEMBL6015027 0.89 F10 (0.51) F10F2CCR1CCKBRCALCRL
SCHEMBL6015032 0.89 F10 (0.51) F10F2CCR1CCKBRCALCRL
SCHEMBL3451037 0.86 F10 (0.51) F10F2CALCRLCYP3A4
SCHEMBL6015060 0.86 F10 (0.51) F10F2CALCRLCYP3A4

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