SCHEMBL2556969

SCHEMBL2556969

CC1(C)CN(Cc2ccc(F)c(B(O)O)c2)CCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.42
WDR5 P61964 1/20 0.40
ALDH1A1 P00352 3/20 0.38
HTT P42858 1/20 0.38
PDE1B Q01064 1/20 0.37
MGLL Q99685 2/20 0.35
DRD4 P21917 3/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3R2 O00459 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
PIK3R5 Q8WYR1 1/20 0.35
PIK3R3 Q92569 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34

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 0.81 HRH3 (0.51) ALDH1A1HTTNPC1TP53RAB9A
SCHEMBL15334180 0.78 KDM4E (0.36) GRM2WDR5ALDH1A1KDM4ESMN1; SMN2
SCHEMBL15330858 0.77 KDM4E (0.38) GRM2ALDH1A1MGLLKDM4ESMN1; SMN2
SCHEMBL2561782 0.77 ALDH1A1 (0.46) ALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL15331774 0.76 ALDH1A1 (0.50) ALDH1A1HTTNPC1TP53RAB9A
SCHEMBL30134023 0.76 KDM1A (0.55) GRM2ALDH1A1PDE1BPIK3CDPIK3R2
SCHEMBL11868 0.75 ALDH1A1 (0.49) GRM2ALDH1A1PDE1BKDM4ESMN1; SMN2
SCHEMBL29954738 0.75 ALDH1A1 (0.68) ALDH1A1HTTKDM4ESMN1; SMN2GAA
SCHEMBL2556300 0.74 ALDH1A1 (0.51) ALDH1A1HTTKDM4ENPC1TP53
SCHEMBL1427580 0.74 KDM4E (0.46) GRM2ALDH1A1PDE1BPIK3CDPIK3R2

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