SCHEMBL2553741

SCHEMBL2553741

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.35
TYR P14679 1/20 0.34
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
CCR1 P32246 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL15329724 1.00 KCNJ1 (0.35) KCNJ1TYRHDAC3HDAC1HDAC8
SCHEMBL15330558 0.85 ADRB2 (0.38) KCNJ1TYRHDAC3HDAC1HDAC8
SCHEMBL2552973 0.85 ADRB2 (0.38) KCNJ1TYRHDAC3HDAC1HDAC8
SCHEMBL934018 0.81 TYR (0.48) KCNJ1TYRCCR1
SCHEMBL2555343 0.77 SLC6A4 (0.41) KCNJ1HDAC3HDAC1HDAC8CCR1
SCHEMBL15331982 0.77 SLC6A4 (0.41) KCNJ1HDAC3HDAC1HDAC8CCR1
SCHEMBL2553936 0.75 KCNJ1 (0.35) KCNJ1CCR1
SCHEMBL7089260 0.75 ALDH1A1 (0.39) KCNJ1TYRHDAC8HDAC4
SCHEMBL15331456 0.75 KCNJ1 (0.35) KCNJ1CCR1
SCHEMBL15331646 0.75 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