SCHEMBL6015105

SCHEMBL6015105

CC(C)(C)[C@@H](NC(=O)O)C(=O)N1CCC(N2CCCC2=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 3/20 0.46
CCR1 P32246 2/20 0.42
KDM5A P29375 1/20 0.41
F10 P00742 3/20 0.41
SPR P35270 1/20 0.38
ENPP2 Q13822 1/20 0.37
MMP13 P45452 1/20 0.37
MCHR1 Q99705 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL6015039 0.96 VNN1 (0.47) VNN1CCR1KDM5AF10SPR
SCHEMBL3448786 0.90 VNN1 (0.43) VNN1CCR1KDM5AF10SPR
SCHEMBL6015018 0.82 CCR1 (0.41) VNN1CCR1
SCHEMBL6015002 0.81 F10 (0.43) VNN1CCR1F10MCHR1
SCHEMBL19001333 0.81 KDM5A (0.50) VNN1KDM5AF10SPRENPP2
SCHEMBL6014992 0.80 CCR1 (0.42) VNN1CCR1MCHR1
SCHEMBL6015101 0.80 CCR1 (0.42) CCR1F10ENPP2MMP13MCHR1
SCHEMBL3450101 0.79 CCR1 (0.48) VNN1CCR1F10MCHR1RAB9A
SCHEMBL3448782 0.78 VNN1 (0.41) VNN1CCR1KDM5AF10SPR
SCHEMBL16602550 0.77 CCR1 (0.41) CCR1

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