SCHEMBL2557765

SCHEMBL2557765

O=CCN1Cc2ccccc2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
RXFP1 Q9HBX9 1/20 0.39
NOTUM Q6P988 1/20 0.39
CARM1 Q86X55 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
DRD3 P35462 1/20 0.38
KCNH2 Q12809 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38

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
SCHEMBL1193519 0.86 HDAC3 (0.54) ALDH1A1HDAC3HDAC1HDAC8NCOR2
SCHEMBL29385994 0.78 ALDH1A1 (0.47) ADRA1DADRA1AADRA1BALDH1A1CYP1A2
SCHEMBL28485220 0.78 ALDH1A1 (0.47) ADRA1DADRA1AADRA1BALDH1A1CYP1A2
SCHEMBL2321445 0.77 ADRA1D (0.81) ADRA1DADRA1AADRA1BALDH1A1CYP1A2
SCHEMBL16100041 0.77 PRMT5 (0.41) CARM1DRD3DRD2
SCHEMBL14862467 0.75 RYR2 (0.50) ADRA1DADRA1AADRA1BALDH1A1NOTUM
SCHEMBL22289657 0.73 L3MBTL3 (0.39) ADRA1DADRA1AADRA1BHDAC1DRD3
SCHEMBL30072993 0.72 ALDH1A1 (0.59) ADRA1DADRA1AADRA1BALDH1A1CYP1A2
SCHEMBL7634775 0.71 HTR7 (0.57) ALDH1A1HDAC3HDAC1HDAC8NCOR2
SCHEMBL11584556 0.71 LMNA (0.53) ADRA1DADRA1AADRA1BALDH1A1CYP1A2

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 9 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
EP-2945943-A2 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS Bristol-Myers Squibb Company (US) 2015-11-25 EP disclosed
WO-2014113620-A2 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-07-24 WO 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