SCHEMBL2561385

SCHEMBL2561385

O=Cc1ccc([C@@H]2CCCCN2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.42
CHRNA4 P43681 3/20 0.42
MEN1 O00255 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
KMT2A Q03164 2/20 0.42
CHRNA7 P36544 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C9 P11712 1/20 0.42
BAZ2A Q9UIF9 1/20 0.32
PARP1 P09874 3/20 0.32
AURKA O14965 1/20 0.32
GABRA5 P31644 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
KCNJ1 P48048 1/20 0.31

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
SCHEMBL2555955 1.00 CHRNB2 (0.42) CHRNB2CHRNA4MEN1CYP2D6CYP2C19
SCHEMBL2557988 0.95 CHRNB2 (0.41) CHRNB2CHRNA4MEN1CYP2D6CYP2C19
SCHEMBL2556655 0.95 CHRNB2 (0.41) CHRNB2CHRNA4MEN1CYP2D6CYP2C19
SCHEMBL2556129 0.87 CHRNB2 (0.36) CHRNB2CHRNA4CHRNA7ALDH1A1L3MBTL1
SCHEMBL2561996 0.87 CHRNB2 (0.36) CHRNB2CHRNA4CHRNA7ALDH1A1L3MBTL1
SCHEMBL2560803 0.78 CHRNB2 (0.41) CHRNB2CHRNA4MEN1CYP2D6CYP2C19
SCHEMBL2560332 0.78 CHRNB2 (0.41) CHRNB2CHRNA4MEN1CYP2D6CYP2C19
SCHEMBL2562799 0.77 CSNK1D (0.35) BAZ2AALDH1A1L3MBTL1KDM4EKCNJ1
SCHEMBL2561169 0.77 CSNK1D (0.35) BAZ2AALDH1A1L3MBTL1KDM4EKCNJ1
SCHEMBL24364145 0.76 CHRNB2 (0.45) CHRNB2CHRNA4MEN1CYP2D6CYP2C19

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