SCHEMBL6015135

SCHEMBL6015135

Cc1ncc2n1C(=O)N(N1CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)O)CC1)C2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
F10 P00742 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
P2RY12 Q9H244 1/20 0.40
HCRTR2 O43614 2/20 0.40
MMP1 P03956 3/20 0.40
MMP3 P08254 3/20 0.40
METAP1 P53582 1/20 0.39

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
SCHEMBL6015097 0.93 F10 (0.44) ALDH1A1F10SMN1; SMN2KDM4EHSD17B10
SCHEMBL3450519 0.88 FPR2 (0.49) ALDH1A1F10MMP1MMP3
SCHEMBL3448772 0.88 FPR2 (0.49) ALDH1A1F10MMP1MMP3
SCHEMBL3451037 0.83 F10 (0.51) ALDH1A1F10SMN1; SMN2KMT2AMEN1
SCHEMBL6015060 0.83 F10 (0.51) ALDH1A1F10SMN1; SMN2KMT2AMEN1
SCHEMBL6014981 0.83 F10 (0.43) ALDH1A1F10KDM4EHSD17B10KMT2A
SCHEMBL3450361 0.82 HRH2 (0.49) F10KMT2A
SCHEMBL3451297 0.82 F10 (0.43) ALDH1A1F10SMN1; SMN2HSD17B10
SCHEMBL6015040 0.80 F10 (0.45) F10KMT2AP2RY12
SCHEMBL3451657 0.80 F10 (0.45) ALDH1A1F10

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