SCHEMBL22864147

SCHEMBL22864147

Cc1ccnc2c(CCNC(C)(C)C)cccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 2/20 0.46
COPS5 Q92905 2/20 0.46
CCR1 P32246 3/20 0.43
CCR8 P51685 3/20 0.43
HTR1A P08908 3/20 0.43
ADRA1D P25100 3/20 0.43
ADRA1A P35348 3/20 0.43
ADRA1B P35368 3/20 0.43
CCR5 P51681 2/20 0.43
L3MBTL1 Q9Y468 4/20 0.39
HTT P42858 2/20 0.36
SLC6A2 P23975 1/20 0.36
ALDH1A1 P00352 3/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL22864242 0.81 NSD2 (0.34) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL22864223 0.78 ALDH1A1 (0.42) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL22864232 0.78 HDAC6 (0.46) PSMD14COPS5CCR1CCR8ADRA1A
SCHEMBL22864243 0.76 HTR5A (0.49) L3MBTL1HTTALDH1A1POLBKDM4E
SCHEMBL9828866 0.75 PSMD14 (0.58) PSMD14COPS5CCR1CCR8HTR1A
SCHEMBL3272867 0.75 PSMD14 (0.58) PSMD14COPS5CCR1CCR8HTR1A
SCHEMBL22864155 0.74 SLC40A1 (0.43) L3MBTL1KDM4EKMT2APAX8
SCHEMBL22864222 0.74 ALDH1A1 (0.34) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL16938252 0.73 PSMD14 (0.56) PSMD14COPS5CCR1CCR8HTR1A
SCHEMBL22493402 0.72 P2RX7 (0.37)

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-2021003161-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. (US) 2021-01-07 WO disclosed