SCHEMBL2559080

SCHEMBL2559080

N#Cc1ccccc1N1CCCC(CCC(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
PTPN1 P18031 1/20 0.43
POLB P06746 2/20 0.42
KDM4E B2RXH2 2/20 0.42
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
ADAM17 P78536 3/20 0.41
GRM1 Q13255 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
GRM5 P41594 1/20 0.40
DPP4 P27487 1/20 0.40
UCHL1 P09936 1/20 0.40
USP30 Q70CQ3 1/20 0.40
AR P10275 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
SCHEMBL2558173 0.88 FFAR4 (0.47) CHRM4DRD2DRD4PTPN1POLB
SCHEMBL31042536 0.85 CHRM4 (0.57) CHRM4DRD2DRD4ADAM17GRM5
SCHEMBL2559433 0.85 CHRM4 (0.57) CHRM4DRD2DRD4ADAM17GRM5
SCHEMBL7522691 0.82 PTPN1 (0.50) CHRM4DRD2DRD4PTPN1POLB
SCHEMBL29950827 0.78 NOTUM (0.57) DRD2DRD4KDM4EGRM1ALDH1A1
SCHEMBL29952767 0.78 NOTUM (0.57) DRD2DRD4KDM4EGRM1ALDH1A1
SCHEMBL15330773 0.78 NOTUM (0.57) DRD2DRD4KDM4EGRM1ALDH1A1
SCHEMBL31042543 0.78 CHRM4 (0.55) CHRM4DRD2DRD4GRM5
SCHEMBL15896058 0.74 KDM4E (0.46) KDM4EGRM1ALDH1A1GRM5DPP4
SCHEMBL29823001 0.74 KDM4E (0.46) KDM4EGRM1ALDH1A1GRM5DPP4

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