SCHEMBL8648282

SCHEMBL8648282

OC[C@H](NCC1(O)CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.74
HTR1B P28222 20/20 0.74

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
SCHEMBL4339832 0.85 HTR1D (1.00) HTR1DHTR1B
SCHEMBL4352014 0.84 HTR1D (1.00) HTR1DHTR1B
SCHEMBL4578434 0.83 HTR1D (1.00) HTR1DHTR1B
SCHEMBL7481503 0.83 HTR1D (1.00) HTR1DHTR1B
SCHEMBL4579728 0.83 HTR1D (1.00) HTR1DHTR1B
SCHEMBL4338355 0.83 HTR1D (0.76) HTR1DHTR1B
SCHEMBL4351734 0.83 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8644472 0.81 HTR1D (0.77) HTR1DHTR1B
SCHEMBL4342846 0.80 HTR1D (1.00) HTR1DHTR1B
SCHEMBL7475617 0.80 HTR1D (0.81) 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