SCHEMBL2558561

SCHEMBL2558561

O=Cc1ccc([C@@H]2CCCN2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.49
CHRNA4 P43681 3/20 0.49
CHRNA7 P36544 2/20 0.49
MEN1 O00255 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C9 P11712 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
AURKA O14965 1/20 0.36
CHRM5 P08912 5/20 0.36
CHRM3 P20309 5/20 0.36
CHRM2 P08172 5/20 0.36
CHRM1 P11229 4/20 0.36
CHRM4 P08173 4/20 0.36

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
SCHEMBL2562224 1.00 CHRNB2 (0.49) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL2561107 0.95 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL2558852 0.95 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL2554218 0.88 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL2560247 0.88 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL2562746 0.79 PARP1 (0.33) PARP1
SCHEMBL2559816 0.79 PARP1 (0.33) PARP1
SCHEMBL29952339 0.78
SCHEMBL26817536 0.78 HTT (0.49) CHRNA7KMT2ASMN1; SMN2L3MBTL1
SCHEMBL2556160 0.77 PRKACA (0.36)

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