SCHEMBL2558853

SCHEMBL2558853

O=Cc1cccc([C@@H]2CCN2)n1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
PARP1 P09874 1/20 0.35
CCR1 P32246 1/20 0.34
TERT O14746 9/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL2560920 1.00 CHRNB2 (0.36) CHRNB2CHRNA4PARP1CCR1TERT
SCHEMBL2564241 0.89 CHRNB2 (0.41) CHRNB2CHRNA4PARP1
SCHEMBL2551645 0.89 CHRNB2 (0.41) CHRNB2CHRNA4PARP1
SCHEMBL2560655 0.87 MEN1 (0.42) CHRNB2CHRNA4PARP1
SCHEMBL2557483 0.87 MEN1 (0.42) CHRNB2CHRNA4PARP1
SCHEMBL2557808 0.79 PRKACA (0.38)
SCHEMBL2559382 0.79 PRKACA (0.38)
SCHEMBL31381523 0.78 F2R (0.41) CCR1TERTALDH1A1
SCHEMBL4131304 0.78 F2R (0.41) CCR1TERTALDH1A1
SCHEMBL9938864 0.77 CNR2 (0.40) CCR1TERTALDH1A1

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