SCHEMBL2564241

SCHEMBL2564241

O=Cc1cccc([C@@H]2CCCN2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.41
CHRNA4 P43681 3/20 0.41
CHRNA7 P36544 2/20 0.41
PARP1 P09874 2/20 0.39
CHRM5 P08912 3/20 0.38
CHRM3 P20309 3/20 0.38
CHRM1 P11229 2/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
PDCD1LG2 Q9BQ51 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
IRAK4 Q9NWZ3 2/20 0.36
MEN1 O00255 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 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
SCHEMBL2551645 1.00 CHRNB2 (0.41) CHRNB2CHRNA4CHRNA7PARP1CHRM5
SCHEMBL2560655 0.95 MEN1 (0.42) CHRNB2CHRNA4CHRNA7PARP1CHRM5
SCHEMBL2557483 0.95 MEN1 (0.42) CHRNB2CHRNA4CHRNA7PARP1CHRM5
SCHEMBL2560920 0.89 CHRNB2 (0.36) CHRNB2CHRNA4PARP1
SCHEMBL2558853 0.89 CHRNB2 (0.36) CHRNB2CHRNA4PARP1
SCHEMBL2557808 0.78 PRKACA (0.38)
SCHEMBL2559382 0.78 PRKACA (0.38)
SCHEMBL9938864 0.76 CNR2 (0.40) CHRNA7
SCHEMBL24581796 0.76 CHRM2 (0.44) CHRNB2CHRNA4CHRNA7CHRM5CHRM3
SCHEMBL17440986 0.76 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA7PARP1CHRM5

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