SCHEMBL8979689

SCHEMBL8979689

CCCC[Sn](CCCC)(CCCC)c1ccc2c(c1)c(C[C@H]1CCCN1C)cn2C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.40
EPHX1 P07099 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
CNR2 P34972 2/20 0.34
PIM1 P11309 1/20 0.34
MARK3 P27448 1/20 0.34
MAP4K2 Q12851 1/20 0.34
CAMK2B Q13554 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34

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
SCHEMBL8979664 0.82 HTR6 (0.45) HTR6EPHX1L3MBTL1HTR1DHTR1B
SCHEMBL19150272 0.82 HTR6 (0.45) HTR6EPHX1L3MBTL1HTR1DHTR1B
SCHEMBL8979723 0.78 HTR6 (0.39) HTR6HTR1DHTR1B
SCHEMBL19540506 0.77 HTR6 (0.44) HTR6EPHX1
SCHEMBL9194915 0.74 EPHX1 (0.35) HTR6EPHX1L3MBTL1CNR2PIM1
SCHEMBL8979744 0.73 GSK3B (0.41) HTR6PIM1MARK3MAP4K2CAMK2B
SCHEMBL19170911 0.73 HTR6 (0.50) HTR6L3MBTL1
SCHEMBL8979707 0.72 HTR6 (0.40) HTR6EPHX1L3MBTL1HTR1DHTR1B
SCHEMBL25072241 0.70 HTR1A (0.49) HTR6HTR1B
SCHEMBL25072237 0.70 HTR1A (0.49) HTR6HTR1B

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-5502065-A TREATING HEADACHES PFIZER INC. (US) 1996-03-26 US disclosed
EP-0636129-A1 INDOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS Pfizer Limited (GB) 1995-02-01 EP disclosed
WO-1993021178-A1 INDOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS PFIZER LIMITED (GB) 1993-10-28 WO disclosed