SCHEMBL2561097

SCHEMBL2561097

O=CC1CCN(CC(=O)Nc2ccccc2F)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.63
KDM4E B2RXH2 2/20 0.63
TSHR P16473 3/20 0.62
HSD17B10 Q99714 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
MAPT P10636 1/20 0.61
GFER P55789 1/20 0.61
DRD4 P21917 1/20 0.60
CHRNB2 P17787 3/20 0.60
CHRNB4 P30926 3/20 0.60
CHRNA3 P32297 3/20 0.60
CHRNA4 P43681 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.57
POLB P06746 2/20 0.56
CYP3A4 P08684 1/20 0.56
GAA P10253 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAPK1 P28482 1/20 0.55

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
SCHEMBL2559568 0.85 ALDH1A1 (0.65) ALDH1A1KDM4ETSHRHSD17B10SMN1; SMN2
SCHEMBL2555977 0.85 SMN1; SMN2 (0.63) ALDH1A1TSHRSMN1; SMN2MAPTL3MBTL1
SCHEMBL15332055 0.85 HPGD (0.69) ALDH1A1TSHRHSD17B10SMN1; SMN2MAPT
SCHEMBL2558691 0.81 NPSR1 (0.62) ALDH1A1KDM4ESMN1; SMN2DRD4CHRNB2
SCHEMBL15331301 0.79 ALDH1A1 (0.68) ALDH1A1KDM4ETSHRSMN1; SMN2MAPT
SCHEMBL2556082 0.78 DRD4 (0.61) ALDH1A1TSHRSMN1; SMN2MAPTDRD4
SCHEMBL2558842 0.78 ALDH1A1 (0.57) ALDH1A1KDM4ETSHRHSD17B10DRD4
SCHEMBL4005419 0.76 DRD4 (1.00) DRD4
SCHEMBL2561342 0.75 ALDH1A1 (0.60) ALDH1A1TSHRSMN1; SMN2MAPTGFER
SCHEMBL2556713 0.75 HTT (0.50) ALDH1A1KDM4EHSD17B10GFERDRD4

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