SCHEMBL8662568

SCHEMBL8662568

OC1CCN(CCCc2c[nH]c3ccc(-n4cncn4)cc23)CC1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 19/20 0.71
HTR1B P28222 19/20 0.71
HTR1A P08908 2/20 0.59
HTR2C P28335 1/20 0.59
HTR2A P28223 1/20 0.53

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
SCHEMBL8805258 0.88 HTR1D (0.70) HTR1DHTR1BHTR1AHTR2C
SCHEMBL8659017 0.86 HTR1D (0.63) HTR1DHTR1BHTR1AHTR2C
SCHEMBL4338862 0.84 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2A
SCHEMBL8649478 0.84 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2A
SCHEMBL7471152 0.83 HTR1D (0.73) HTR1DHTR1BHTR1AHTR2C
SCHEMBL8662011 0.83 HTR1D (0.82) HTR1DHTR1B
SCHEMBL9077790 0.83 HTR1D (0.68) HTR1DHTR1BHTR1AHTR2CHTR2A
SCHEMBL4578716 0.80 HTR1D (0.63) HTR1DHTR1BHTR1AHTR2A
SCHEMBL4346229 0.79 HTR2C (0.72) HTR1DHTR1BHTR1AHTR2CHTR2A
SCHEMBL7473789 0.79 HTR1D (0.77) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5854268-A Azetidine, pyrrolidine and piperidine derivatives MERCK SHARP & DOHME, LTD. (GB) 1998-12-29 US disclosed