SCHEMBL2561365

SCHEMBL2561365

CC1(C)COCCN1Cc1ccc(F)c(B(O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.42
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
PDE1B Q01064 1/20 0.37
GRM5 P41594 2/20 0.36
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE4B Q07343 1/20 0.34
SIGMAR1 Q99720 3/20 0.33
TMEM97 Q5BJF2 2/20 0.33
CACNA1H O95180 2/20 0.33
DRD4 P21917 2/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
HTT P42858 1/20 0.33
CHRM3 P20309 1/20 0.32
WDR5 P61964 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
SCHEMBL20605142 0.78 HRH3 (0.51) ALDH1A1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL15330755 0.78 GRM5 (0.35) GRM2JAK2JAK1PDE1BGRM5
SCHEMBL15331166 0.77 GRM5 (0.41) GRM2JAK2JAK1PDE1BGRM5
SCHEMBL2561782 0.74 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HTT
SCHEMBL15331774 0.74 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL13638864 0.73 GRM2 (0.46) GRM2JAK2JAK1PDE1BGRM5
SCHEMBL6132960 0.73 JAK2 (0.44) GRM2JAK2JAK1PDE1BALDH1A1
SCHEMBL13164038 0.72 GRM2 (0.45) GRM2JAK2JAK1PDE1BNPC1
SCHEMBL2556969 0.72 GRM2 (0.42) GRM2PDE1BALDH1A1NPC1RAB9A
SCHEMBL13638739 0.71 GRM2 (0.42) GRM2JAK2JAK1PDE1BALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed