SCHEMBL8645825

SCHEMBL8645825

C[C@@H](N[C@H]1CCNCC1CCCc1c[nH]c2ccc(-n3cnnc3)cc12)c1ccc(F)cc1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.66
HTR1B P28222 20/20 0.66
HTR1A P08908 1/20 0.54
HTR2A P28223 1/20 0.54

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
SCHEMBL8651228 0.92 HTR1D (0.65) HTR1DHTR1B
SCHEMBL8651415 0.92 HTR1D (0.65) HTR1DHTR1B
SCHEMBL8699507 0.92 HTR1D (0.65) HTR1DHTR1B
SCHEMBL8645005 0.89 HTR1D (0.67) HTR1DHTR1BHTR1AHTR2A
SCHEMBL8643497 0.89 HTR1D (0.68) HTR1DHTR1BHTR1AHTR2A
SCHEMBL8649135 0.83 HTR1D (0.68) HTR1DHTR1B
SCHEMBL8697299 0.83 HTR1D (0.67) HTR1DHTR1B
SCHEMBL8696689 0.83 HTR1D (0.67) HTR1DHTR1B
SCHEMBL8649173 0.83 HTR1D (0.66) HTR1DHTR1B
SCHEMBL8643798 0.81 HTR1D (0.66) HTR1DHTR1BHTR1AHTR2A

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 4 patents. 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 claimed
US-5808064-A HYDROSILATION OF AN INDOLE AS CHEMICAL INTERMEDIATE MERCK & CO., INC. (US) 1998-09-15 US claimed
US-5854268-A Azetidine, pyrrolidine and piperidine derivatives MERCK SHARP & DOHME, LTD. (GB) 1998-12-29 US disclosed
US-5808064-A HYDROSILATION OF AN INDOLE AS CHEMICAL INTERMEDIATE MERCK & CO., INC. (US) 1998-09-15 US disclosed