SCHEMBL6015019

SCHEMBL6015019

Cc1ncc2n1C(=O)N(C1CCN(C(=O)[C@H](NC(=O)O)C(C)C)CC1)C2

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.53
F2 P00734 3/20 0.53
CCR1 P32246 11/20 0.37
KCNH2 Q12809 1/20 0.37
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL3450295 0.90 F10 (0.52) F10F2CCR1KMT2A
SCHEMBL6015095 0.90 F10 (0.52) F10F2
SCHEMBL6014963 0.89 F10 (0.51) F10F2CCR1
SCHEMBL3448278 0.88 F10 (0.48) F10F2CCR1KMT2A
SCHEMBL6015027 0.85 F10 (0.51) F10F2CCR1CYP3A4
SCHEMBL6015032 0.85 F10 (0.51) F10F2CCR1CYP3A4
SCHEMBL6015113 0.85 F10 (0.52) F10F2CCR1
SCHEMBL6015111 0.85 F10 (0.52) F10F2CCR1
SCHEMBL3449230 0.85 F10 (0.55) F10F2CCR1KCNH2
SCHEMBL13123189 0.85 F10 (0.48) F10F2CCR1KMT2A

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