SCHEMBL2553573

SCHEMBL2553573

CC1CCCCN1CCC=O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 6/20 0.46
HRH3 Q9Y5N1 7/20 0.41
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL31124102 0.94 HRH3 (0.45) HRH3
SCHEMBL2555895 0.94 HRH3 (0.45) HRH3
SCHEMBL18768683 0.81 CXCR4 (0.51) CXCR4HRH3ALDH1A1
SCHEMBL13350455 0.81 CXCR4 (0.43) CXCR4HRH3SCN1ASCN2ASCN3A
SCHEMBL11197632 0.81 CXCR4 (0.43) CXCR4HRH3SCN1ASCN2ASCN3A
SCHEMBL24951709 0.80 CXCR4 (0.50) CXCR4ALDH1A1MEN1KMT2A
SCHEMBL30098982 0.80 ALDH1A1 (0.42) CXCR4SCN1ASCN2ASCN3AALDH1A1
SCHEMBL23828678 0.79 CXCR4 (0.50) CXCR4HRH3ALDH1A1
SCHEMBL7297647 0.78
SCHEMBL2561715 0.78 TSHR (0.42) ALDH1A1MEN1KMT2A

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