SCHEMBL4429449

SCHEMBL4429449

Cc1ccc(F)c(CC=O)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.38
NFE2L2 Q16236 1/20 0.37
SRC P12931 2/20 0.36
HTT P42858 1/20 0.35
MAPK1 P28482 1/20 0.34
MAP2K4 P45985 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
MAPKAPK3 Q16644 1/20 0.34
MAPK6 Q16659 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AKR1B1 P15121 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTGS2 P35354 1/20 0.33
RAB9A P51151 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL2578360 0.84 SRC (0.40) TAAR1NFE2L2SRC
SCHEMBL29954553 0.79 PSEN1 (0.43) NFE2L2ALDH1A1
SCHEMBL3121227 0.79 PSEN1 (0.43) NFE2L2ALDH1A1
SCHEMBL1124970 0.79 TAAR1 (0.50) TAAR1SRCHTTALDH1A1RAB9A
SCHEMBL8239069 0.79 TAAR1 (0.43) TAAR1NFE2L2HTTMAPK1MAP2K4
SCHEMBL1440767 0.78 TAAR1 (0.34) TAAR1HTTMAPK1SMN1; SMN2CHRM2
SCHEMBL29954411 0.78 PSEN1 (0.39) HTTSMN1; SMN2ALDH1A1
SCHEMBL10225859 0.78 SRC (0.41) TAAR1SRCMAPK1SMN1; SMN2ALDH1A1
SCHEMBL21363082 0.77 HTT (0.41) TAAR1NFE2L2SRCHTTMAPK1
SCHEMBL27615942 0.77 TAAR1 (0.42) TAAR1NFE2L2HTTMAPK1MAP2K4

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-2114867-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. Hoffmann-Roche AG (CH) 2009-11-11 EP disclosed
WO-2008107335-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-12 WO disclosed