SCHEMBL2555046

SCHEMBL2555046

COc1cccc(N2CCC(N)(CC(=O)O)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.61
ADRB1 P08588 1/20 0.49
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.48
GFER P55789 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
DRD2 P14416 1/20 0.48
KCNH2 Q12809 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
DRD4 P21917 1/20 0.47
TP53 P04637 1/20 0.47
ADAMTS5 Q9UNA0 1/20 0.47
TSHR P16473 2/20 0.47
USP2 O75604 1/20 0.47
CYP1A2 P05177 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HPGD P15428 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL4601060 0.83 FFAR4 (0.58) FFAR4ADRB1MAPTALDH1A1GFER
SCHEMBL2558936 0.82 USP2 (0.50) FFAR4MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL27718838 0.77 FFAR4 (0.55) FFAR4ADRB1MAPTALDH1A1GFER
SCHEMBL16482993 0.76 FFAR4 (1.00) FFAR4
Hydrochloric Acid SCHEMBL1373869 0.75 GFER (0.67) FFAR4MAPTALDH1A1GFERSMN1; SMN2
SCHEMBL2560547 0.74 FFAR4 (0.78) FFAR4ADRB1MAPTALDH1A1GFER
SCHEMBL2114590 0.74 KCNH2 (0.68) MAPTGFERDRD2KCNH2MEN1
SCHEMBL4319359 0.74 KMT2A (0.63) ADRB1MAPTALDH1A1GFERDRD2
SCHEMBL11074672 0.73 ADRB1 (0.76) ADRB1MAPTALDH1A1GFERSMN1; SMN2
SCHEMBL7058493 0.72 KMT2A (0.62) ADRB1MAPTALDH1A1DRD2KCNH2

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