SCHEMBL5599305

SCHEMBL5599305

C=C(C)C[C@H]1N(C(=O)c2ccc3c(c2)OCO3)c2ccccc2C12CCNCC2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.41
GAA P10253 2/20 0.41
TSHR P16473 5/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 5/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
GFER P55789 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL5599793 0.81 LMNA (0.44) HPGDGAAMEN1KMT2AALDH1A1
SCHEMBL5600810 0.81 NPC1 (0.43) HPGDGAATSHRKMT2AALDH1A1
SCHEMBL5599295 0.76 TSHR (0.47) HPGDGAATSHRALDH1A1L3MBTL1
SCHEMBL5783881 0.75 TSHR (0.49) HPGDGAATSHRALDH1A1RAB9A
SCHEMBL5781699 0.74 GLA (0.39) KMT2AALDH1A1NPC1L3MBTL1LMNA
SCHEMBL5599176 0.74 GLA (0.39) KMT2AALDH1A1NPC1L3MBTL1LMNA
SCHEMBL5599670 0.71 CYP2C19 (0.44) HPGDMEN1KMT2AALDH1A1NPC1
SCHEMBL5599866 0.70 CHRM5 (0.35) MEN1KMT2A
SCHEMBL5779846 0.69 KMT2A (0.40) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5785402 0.67 GABRD (0.31) SMN1; SMN2

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-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 WO claimed