SCHEMBL6015047

SCHEMBL6015047

Cc1ncc2n1C(=O)N(C1CCN(C(=O)[C@@H](Cc3ccc(OCc4ccccc4)cc3)NC(=O)O)CC1)C2

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.47
F2 P00734 2/20 0.47
YAP1 P46937 11/20 0.45
CACNA1B Q00975 1/20 0.42
ACE P12821 2/20 0.42

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
SCHEMBL3451037 0.93 F10 (0.51) F10F2
SCHEMBL6015060 0.93 F10 (0.51) F10F2
SCHEMBL3450764 0.90 F10 (0.48) F10F2CACNA1B
SCHEMBL6015139 0.86 F10 (0.47) F10F2YAP1
SCHEMBL6015110 0.85 F10 (0.48) F10F2ACE
SCHEMBL3449486 0.85 F10 (0.45) F10F2YAP1CACNA1B
SCHEMBL3448801 0.81 F10 (0.51) F10F2
SCHEMBL3449017 0.81 F10 (0.51) F10F2
SCHEMBL3449287 0.81 F10 (0.51) F10F2
SCHEMBL6015113 0.81 F10 (0.52) F10F2

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