SCHEMBL15330755

SCHEMBL15330755

CC1(C)COCCN1Cc1ccc(B(O)O)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
CYP2A13 Q16696 2/20 0.33
GRM2 Q14416 1/20 0.33
DRD2 P14416 2/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
KCNH2 Q12809 2/20 0.33
CTSB P07858 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
KDM4E B2RXH2 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDE1B Q01064 1/20 0.31
BDKRB1 P46663 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL15331166 0.82 GRM5 (0.41) GRM5GRM2DRD2HTR2AHTR2C
SCHEMBL428266 0.78 CYP2A13 (0.56) CYP2A13CTSBKDM4ESMN1; SMN2CYP2C9
SCHEMBL2561365 0.78 GRM2 (0.42) GRM5GRM2DRD2JAK2JAK1
SCHEMBL2562320 0.76 KDM4E (0.47) DRD2HTR2AHTR2CKCNH2KDM4E
SCHEMBL15331225 0.73 CYP2A13 (0.51) CYP2A13KDM4ESMN1; SMN2CYP2C9ALOX15
SCHEMBL15334180 0.73 KDM4E (0.36) GRM5HDAC6CYP2A13GRM2KDM4E
SCHEMBL2554986 0.70 KDM4E (0.45) KDM4ESMN1; SMN2HSD17B10
SCHEMBL15330847 0.69 KDM4E (0.52) KDM4ESMN1; SMN2
SCHEMBL16261244 0.69 PDE3B (0.38) GRM2KDM4ESMN1; SMN2CYP2C9HSD17B10
SCHEMBL29953357 0.69 KDM4E (0.64) KDM4ESMN1; SMN2

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 5 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