SCHEMBL2552973

SCHEMBL2552973

C[C@H](N)c1ccc(C=O)nc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.38
KCNJ1 P48048 1/20 0.37
TYR P14679 2/20 0.36
CCR1 P32246 1/20 0.33
ROCK2 O75116 2/20 0.32
ROCK1 Q13464 2/20 0.32
PDE2A O00408 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CIT O14578 1/20 0.30

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
SCHEMBL15330558 1.00 ADRB2 (0.38) ADRB2KCNJ1TYRCCR1ROCK2
SCHEMBL15329724 0.85 KCNJ1 (0.35) KCNJ1TYRCCR1HDAC3HDAC1
SCHEMBL2553741 0.85 KCNJ1 (0.35) KCNJ1TYRCCR1HDAC3HDAC1
SCHEMBL934018 0.84 TYR (0.48) KCNJ1TYRCCR1ALDH1A1
SCHEMBL2555343 0.80 SLC6A4 (0.41) KCNJ1CCR1ROCK1HDAC3HDAC1
SCHEMBL15331982 0.80 SLC6A4 (0.41) KCNJ1CCR1ROCK1HDAC3HDAC1
SCHEMBL7089260 0.78 ALDH1A1 (0.39) KCNJ1TYRHDAC8ALDH1A1
SCHEMBL2553936 0.78 KCNJ1 (0.35) KCNJ1CCR1
SCHEMBL15331456 0.78 KCNJ1 (0.35) KCNJ1CCR1
SCHEMBL15331646 0.78 KCNJ1 (0.35) KCNJ1CCR1

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