SCHEMBL8924524

SCHEMBL8924524

CC(C)(C)ON(C=O)CCN1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.66
HTR1B P28222 20/20 0.66

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
SCHEMBL8984359 0.81 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8644375 0.79 HTR1D (0.78) HTR1DHTR1B
SCHEMBL8924517 0.78 HTR1D (0.81) HTR1DHTR1B
SCHEMBL8984430 0.78 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8923743 0.78 HTR1D (0.82) HTR1DHTR1B
SCHEMBL7476048 0.77 HTR1D (0.70) HTR1DHTR1B
SCHEMBL7476126 0.77 HTR1D (0.77) HTR1DHTR1B
SCHEMBL7474121 0.77 HTR1D (0.77) HTR1DHTR1B
SCHEMBL7474899 0.77 HTR1D (0.88) HTR1DHTR1B
SCHEMBL7475794 0.77 HTR1D (0.76) HTR1DHTR1B

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-5614524-A Piperazine derivatives as 5-HT1 Agonists MERCK SHARP & DOHME LTD. (GB) 1997-03-25 US claimed
US-5614524-A Piperazine derivatives as 5-HT1 Agonists MERCK SHARP & DOHME LTD. (GB) 1997-03-25 US disclosed