SCHEMBL8428620

SCHEMBL8428620

CC(CN1CCC(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1cccc(F)c1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.70
HTR1B P28222 20/20 0.70
HTR2A P28223 2/20 0.57
HTR2C P28335 1/20 0.57
HTR1F P30939 1/20 0.57
HTR1A P08908 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
SCHEMBL8427576 0.91 HTR1D (0.69) HTR1DHTR1BHTR2AHTR1A
SCHEMBL8427579 0.91 HTR1D (0.69) HTR1DHTR1BHTR2AHTR1A
SCHEMBL8431783 0.91 HTR1D (0.78) HTR1DHTR1B
SCHEMBL7480569 0.91 HTR1D (0.78) HTR1DHTR1B
SCHEMBL8427610 0.91 HTR1D (0.78) HTR1DHTR1B
SCHEMBL8429795 0.91 HTR1D (0.65) HTR1DHTR1B
SCHEMBL8427507 0.89 HTR1D (0.63) HTR1DHTR1B
SCHEMBL8427964 0.88 HTR1D (0.61) HTR1DHTR1B
SCHEMBL8429821 0.87 HTR1D (0.65) HTR1DHTR1B
SCHEMBL8427478 0.87 HTR1D (0.65) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861245-A1 PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1998-09-02 EP claimed
WO-1997019073-A1 PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1997-05-29 WO claimed
US-5973156-A Piperidine and tetrahydropyridine derivatives MERCK SHARP & DOME LTD. (GB) 1999-10-26 US disclosed
EP-0861245-A1 PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1998-09-02 EP disclosed
WO-1997019073-A1 PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1997-05-29 WO disclosed