SCHEMBL6015002

SCHEMBL6015002

CC(C)(C)[C@@H](NC(=O)O)C(=O)N1CCC(N2CCOCC2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.43
CCR1 P32246 2/20 0.40
MCHR1 Q99705 1/20 0.37
PIK3CD O00329 3/20 0.36
VNN1 O95497 3/20 0.33
CTSS P25774 1/20 0.32
CNR2 P34972 3/20 0.32
CTSK P43235 2/20 0.31
CNR1 P21554 1/20 0.31
TACR1 P25103 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SMYD3 Q9H7B4 1/20 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
SCHEMBL3448509 0.84 F10 (0.41) F10CCR1MCHR1CTSS
SCHEMBL6015105 0.81 VNN1 (0.46) F10CCR1MCHR1VNN1
SCHEMBL3451858 0.81 F10 (0.51) F10CCR1CNR1SMN1; SMN2
SCHEMBL6015039 0.81 VNN1 (0.47) F10CCR1MCHR1VNN1CTSS
SCHEMBL6015018 0.80 CCR1 (0.41) CCR1VNN1CNR2CTSK
SCHEMBL3448465 0.78 F10 (0.44) F10MCHR1PIK3CDSMN1; SMN2
SCHEMBL6014992 0.77 CCR1 (0.42) CCR1MCHR1VNN1CNR2CTSK
SCHEMBL6015101 0.77 CCR1 (0.42) F10CCR1MCHR1CNR2SMYD3
SCHEMBL3449401 0.75 RECQL (0.54) SMN1; SMN2
SCHEMBL3448504 0.75 F10 (0.43) F10CCR1

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