SCHEMBL22839753

SCHEMBL22839753

Cc1ccc(C=O)c(N2CCC(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.43
▸ POLB P06746 1/20 0.42
▸ GPR119 Q8TDV5 2/20 0.42
▸ LGMN Q99538 1/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ PTPN2 P17706 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ PTPN6 P29350 1/20 0.37

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
SCHEMBL19582690 0.87 HRH3 (0.38) MAPTPOLBGPR119LGMNKMT2A
SCHEMBL19087943 0.87 MAPT (0.44) MAPTPOLBLGMNKMT2AMEN1
SCHEMBL19601721 0.85 MAPT (0.57) MAPTPOLBLGMNKMT2AMEN1
SCHEMBL17305174 0.85 LMNA (0.44) MAPTKMT2AMEN1ALDH1A1FFAR4
SCHEMBL16001294 0.82 LGMN (0.58) MAPTPOLBGPR119LGMNKMT2A
SCHEMBL19582717 0.81 GABRA5 (0.42) MAPTLGMNKMT2AMEN1ALDH1A1
SCHEMBL19386350 0.81 MAPT (0.48) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL19601670 0.80 CYP46A1 (0.48) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL19386342 0.80 PIM1 (0.53) —
SCHEMBL19608849 0.80 ACACB (0.35) MAPTGPR119LGMNKMT2AMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3455226-B1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME LUNDBECK LA JOLLA RESEARCH CENTER INC (US) 2020-12-30 — — EP disclosed
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