SCHEMBL8979710

SCHEMBL8979710

COC(=O)c1ccc(-c2ccc3[nH]cc(C[C@H]4CCCN4C)c3c2)nc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 15/20 0.57
HTR1A P08908 2/20 0.57
HTR1D P28221 13/20 0.56
HTR6 P50406 5/20 0.52

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
SCHEMBL8979699 0.87 HTR1B (0.58) HTR1BHTR1AHTR1DHTR6
SCHEMBL9545537 0.82 HTR1B (0.57) HTR1BHTR1AHTR1DHTR6
SCHEMBL8979708 0.81 HTR1B (0.64) HTR1BHTR1AHTR1DHTR6
SCHEMBL8979724 0.81 HTR1B (0.55) HTR1BHTR1AHTR1DHTR6
SCHEMBL8979691 0.79 HTR1B (0.57) HTR1BHTR1AHTR1DHTR6
SCHEMBL8979693 0.78 HTR6 (0.65) HTR1BHTR1AHTR1DHTR6
SCHEMBL9377106 0.78 HTR1B (0.67) HTR1BHTR1AHTR1DHTR6
SCHEMBL8914362 0.78 HTR1B (0.69) HTR1BHTR1AHTR1DHTR6
SCHEMBL8472864 0.77 HTR1B (0.64) HTR1BHTR1AHTR1DHTR6
SCHEMBL8979700 0.75 HTR1B (0.68) HTR1BHTR1AHTR1DHTR6

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