SCHEMBL2666544

SCHEMBL2666544

COC1=C(OC)CCC(CN2C(=O)C3=C(CCCC3)C2SCC(=O)Nc2ccc(C)cn2)=C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.35
NPC1 O15118 4/20 0.35
HTT P42858 3/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
TSHR P16473 1/20 0.33
PORCN Q9H237 1/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MITF O75030 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
GCK P35557 1/20 0.32
PSMD14 O00487 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL2666543 0.91 OPRM1 (0.33) PORCN
SCHEMBL5457175 0.82 CACNA1H (0.39) RAB9ANPC1HTTLMNAKMT2A
SCHEMBL2666710 0.75 MAPK1 (0.40) RAB9ANPC1KMT2AMEN1TSHR
SCHEMBL2656449 0.75 TSHR (0.38) RAB9ANPC1KMT2AMEN1TSHR
SCHEMBL2666597 0.73 CACNA1H (0.38) HTTKMT2ASMN1; SMN2
SCHEMBL2643471 0.73 MAPK10 (0.40) SMN1; SMN2GAA
SCHEMBL2666860 0.72 PORCN (0.35) PORCNGCK
SCHEMBL2666861 0.72 OPRM1 (0.32) PORCN
SCHEMBL2666711 0.72 ALDH1A1 (0.45) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL2643472 0.72 RAB9A (0.45) RAB9ANPC1HTTLMNAKMT2A

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
WO-2007053765-A2 SUBSTITUTED CYCLOALKYLPYRROLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO disclosed