SCHEMBL22650563

SCHEMBL22650563

CN(C)C1CCN(c2ccc(N)c(F)c2)C(=O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.41
TSHR P16473 1/20 0.39
FPR1 P21462 2/20 0.35
FPR2 P25090 2/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
POLB P06746 1/20 0.34
HSD11B1 P28845 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
F10 P00742 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
AR P10275 2/20 0.32
HTR2C P28335 1/20 0.32
NPY5R Q15761 1/20 0.32
DPP4 P27487 1/20 0.32
DDB1 Q16531 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
SCHEMBL31347314 1.00 BPTF (0.41) BPTFTSHRFPR1FPR2SLC6A2
SCHEMBL22650567 0.83 LMNA (0.41) TSHRPOLBHSD11B1HTR2C
SCHEMBL22650565 0.80 DDB1 (0.38) TSHRSLC6A2SLC6A4POLBL3MBTL3
SCHEMBL20374556 0.79 NPY5R (0.41) FPR1FPR2HSD11B1L3MBTL3NPY5R
SCHEMBL22650572 0.77 CCR5 (0.38) BPTFTSHRDPP4
SCHEMBL31084534 0.77 FPR1 (0.44) FPR1FPR2NPY5R
SCHEMBL4259168 0.77 FPR1 (0.44) FPR1FPR2NPY5R
SCHEMBL4263614 0.77 FPR1 (0.44) FPR1FPR2NPY5R
SCHEMBL22650368 0.75 ALOX5AP (0.37) L3MBTL3ALOX5APFEN1DDB1CRBN
SCHEMBL29462389 0.75 ALOX5AP (0.37) L3MBTL3ALOX5APFEN1DDB1CRBN

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