SCHEMBL8979695

SCHEMBL8979695

CC(C)[Si](C(C)C)(C(C)C)n1cc(C[C@H]2CCCN2C)c2cc(-c3ccc(C(N)=O)s3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.38
HTR1D P28221 5/20 0.36
HTR1B P28222 5/20 0.36
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35

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
SCHEMBL8686207 0.78 HTR1B (0.59) HTR6HTR1DHTR1BNOS3NOS1
SCHEMBL8979687 0.76 HTR6 (0.43) HTR6HTR1DHTR1B
SCHEMBL8979727 0.76 CHRM2 (0.39) HTR6HTR1DHTR1B
SCHEMBL8979734 0.75 HTR6 (0.38) HTR6HTR1DHTR1B
SCHEMBL8979729 0.74 HTR6 (0.37) HTR6
SCHEMBL8979723 0.70 HTR6 (0.39) HTR6HTR1DHTR1B
SCHEMBL7010544 0.64 HTR6 (0.44) HTR6HTR1DHTR1B
SCHEMBL7010546 0.64 HTR6 (0.44) HTR6HTR1DHTR1B
SCHEMBL7012792 0.64 HTR6 (0.44) HTR6HTR1DHTR1B
SCHEMBL1697459 0.62 HTR6 (0.46) HTR6HTR1DHTR1B

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