SCHEMBL2557412

SCHEMBL2557412

OB(O)c1ccnc(C(F)(F)F)c1-c1cccc(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.37
GPBAR1 Q8TDU6 2/20 0.34
CNR2 P34972 1/20 0.33
CCNT1 O60563 3/20 0.31
CDK9 P50750 3/20 0.31
MAPT P10636 1/20 0.31
GSK3B P49841 1/20 0.31
FAAH O00519 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDK2 Q15119 1/20 0.31
IDO1 P14902 1/20 0.31
DHODH Q02127 1/20 0.30
CCNE2 O96020 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 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
SCHEMBL2561639 0.81 CNR2 (0.37) HSD11B1CNR2CCNT1CDK9DHODH
SCHEMBL2559962 0.80 CYP1A2 (0.43) HSD11B1HSD17B10
SCHEMBL2563010 0.79 HTT (0.32) HTTHSD17B10
SCHEMBL21352391 0.78 HSD11B1 (0.37) HSD11B1GPBAR1CNR2CCNT1CDK9
SCHEMBL15330093 0.76 HSD11B1 (0.40) HSD11B1GPBAR1CNR2MAPT
SCHEMBL29955831 0.75 HTT (0.35) HTTHSD17B10
SCHEMBL25707523 0.75 HTT (0.35) HTTHSD17B10
SCHEMBL2562795 0.73 HSD11B1 (0.38) HSD11B1GPBAR1CNR2FAAHIDO1
SCHEMBL15330051 0.73 GLP1R (0.33)
SCHEMBL21352379 0.72 PTPN11 (0.35) HSD11B1CNR2CCNT1CDK9DHODH

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