SCHEMBL2553727

SCHEMBL2553727

CCC1CCN(Cc2ccc(F)c(B(O)O)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.44
ACHE P22303 1/20 0.43
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL13375738 0.85 ALDH1A1 (0.61) ALDH1A1KDM4EHTTACHESIGMAR1
SCHEMBL2556300 0.82 ALDH1A1 (0.51) ALDH1A1KDM4EHTT
SCHEMBL29950866 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EHTTSIGMAR1
SCHEMBL29954738 0.81 ALDH1A1 (0.68) ALDH1A1KDM4EHTT
SCHEMBL15096667 0.80 HRH3 (0.46) ALDH1A1ACHE
SCHEMBL20605142 0.78 HRH3 (0.51) ALDH1A1HTT
SCHEMBL12513635 0.78 ALDH1A1 (0.62) ALDH1A1ACHESIGMAR1
SCHEMBL2561782 0.77 ALDH1A1 (0.46) ALDH1A1KDM4EHTT
SCHEMBL21252822 0.76 DRD4 (0.51) ALDH1A1KDM4EACHE
SCHEMBL2563675 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EHTTACHE

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