SCHEMBL7984557

SCHEMBL7984557

CC(C)(C)OC(=O)N1CCN(CCCNC(=O)C2=Cc3cnc4cccc(n34)S2)C(=O)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.40
TP53 P04637 3/20 0.36
LMNA P02545 2/20 0.36
NAMPT P43490 1/20 0.34
THRB P10828 1/20 0.34
STAT3 P40763 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FGFR3 P22607 1/20 0.33
KDR P35968 1/20 0.33
MAPT P10636 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
SCHEMBL7985797 0.88 ACKR3 (0.51) ACKR3TP53LMNATHRBSTAT3
SCHEMBL7989896 0.85 ACKR3 (0.49) ACKR3TP53LMNATHRBSTAT3
SCHEMBL7989610 0.85 ACKR3 (0.50) ACKR3TP53LMNATHRBMAPT
SCHEMBL7981945 0.83 KDM4E (0.44) TP53LMNANAMPT
SCHEMBL7987167 0.81 KDM4E (0.45) TP53LMNANAMPTL3MBTL1MAPT
SCHEMBL7983600 0.80 MCHR1 (0.40) NAMPTALDH1A1TSHRL3MBTL1SMN1; SMN2
SCHEMBL7972387 0.79 SLC6A2 (0.41) NAMPTALDH1A1L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL7986019 0.79 SLC6A2 (0.41) NAMPTALDH1A1L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL7972006 0.79 SLC6A2 (0.41) NAMPTALDH1A1L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL7981928 0.78 ALDH1A1 (0.36) LMNAALDH1A1TSHRL3MBTL1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
EP-0915888-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-05-19 EP disclosed
WO-1997040051-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 WO disclosed