SCHEMBL8979734

SCHEMBL8979734

COC(=O)c1cccc(-c2ccc3c(c2)c(C[C@H]2CCCN2C)cn3[Si](C(C)C)(C(C)C)C(C)C)n1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.38
HTR1B P28222 7/20 0.36
HTR1D P28221 5/20 0.36
HTR1A P08908 2/20 0.35
HTR2A P28223 2/20 0.35
ERN1 O75460 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
SCHEMBL8979727 0.82 CHRM2 (0.39) HTR6HTR1BHTR1DHTR1A
SCHEMBL8979729 0.82 HTR6 (0.37) HTR6
SCHEMBL9545537 0.80 HTR1B (0.57) HTR6HTR1BHTR1DHTR1A
SCHEMBL8979695 0.75 HTR6 (0.38) HTR6HTR1BHTR1D
SCHEMBL8979707 0.74 HTR6 (0.40) HTR6HTR1BHTR1D
SCHEMBL8979687 0.74 HTR6 (0.43) HTR6HTR1BHTR1D
SCHEMBL8979723 0.69 HTR6 (0.39) HTR6HTR1BHTR1D
SCHEMBL8979704 0.68 HTR1B (0.55) HTR6HTR1BHTR1DHTR1A
SCHEMBL8979710 0.63 HTR1B (0.57) HTR6HTR1BHTR1DHTR1A
SCHEMBL8979850 0.63 HTR1B (0.60) HTR6HTR1BHTR1DHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5502065-A TREATING HEADACHES PFIZER INC. (US) 1996-03-26 US disclosed
WO-1993021178-A1 INDOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS PFIZER LIMITED (GB) 1993-10-28 WO disclosed