SCHEMBL22650383

SCHEMBL22650383

CN(C(=O)OC(C)(C)C)C1CCCN(c2ccc(N)c(F)c2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.35
FPR1 P21462 3/20 0.35
HTR2C P28335 2/20 0.35
SLC6A4 P31645 2/20 0.35
HTR2A P28223 1/20 0.35
LIPE Q05469 2/20 0.34
F10 P00742 2/20 0.33
HSD11B1 P28845 1/20 0.33
ROCK2 O75116 1/20 0.33
KDM4D Q6B0I6 1/20 0.33
HRH3 Q9Y5N1 3/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
RIPK1 Q13546 1/20 0.32
TSHR P16473 1/20 0.32
MCHR1 Q99705 1/20 0.32

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
SCHEMBL23975899 0.85 RIPK1 (0.42) HTR2CSLC6A4HTR2ARIPK1TSHR
SCHEMBL22650381 0.85 ROCK2 (0.38) FPR2FPR1LIPEF10HSD11B1
SCHEMBL22650346 0.80 ROCK2 (0.37) HTR2CSLC6A4HTR2ALIPEROCK2
SCHEMBL22650382 0.78 FPR2 (0.43) FPR2FPR1F10
SCHEMBL4259518 0.77 PDE10A (0.43) FPR2FPR1HSD11B1KDM4DMCHR1
SCHEMBL27760852 0.77 PDE10A (0.43) FPR2FPR1HSD11B1KDM4DMCHR1
SCHEMBL22650408 0.74 PDK2 (0.36) HTR2CSLC6A4HTR2AROCK2KDM4D
SCHEMBL3000521 0.72 HSD11B1 (0.37) FPR2FPR1HTR2CSLC6A4F10
SCHEMBL22650572 0.72 CCR5 (0.38) LIPEHDAC1TSHRMCHR1
SCHEMBL29418458 0.71 KDM4D (0.38) KDM4D

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
WO-2020224568-A1 CDK INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2020-11-12 WO disclosed