SCHEMBL8470341

SCHEMBL8470341

CC(CN1CCN(CC(F)Cc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccncc1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.83
HTR1B P28222 19/20 0.83

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
SCHEMBL8473176 1.00 HTR1D (0.83) HTR1DHTR1B
SCHEMBL8473173 1.00 HTR1D (0.83) HTR1DHTR1B
SCHEMBL8470232 0.92 HTR1D (0.85) HTR1DHTR1B
SCHEMBL8524184 0.92 HTR1D (0.85) HTR1DHTR1B
SCHEMBL8524187 0.92 HTR1D (0.85) HTR1DHTR1B
SCHEMBL8474241 0.91 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8471754 0.91 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8470223 0.90 HTR1D (0.77) HTR1DHTR1B
SCHEMBL8470565 0.90 HTR1D (0.77) HTR1DHTR1B
SCHEMBL8470562 0.90 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5977116-A Piperazine, piperidine and tetrahydropyridine derivatives MERCK SHARP & DOHME LTD. (GB) 1999-11-02 US claimed
EP-0863895-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1998-09-16 EP claimed
WO-1997018203-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1997-05-22 WO claimed
US-5977116-A Piperazine, piperidine and tetrahydropyridine derivatives MERCK SHARP & DOHME LTD. (GB) 1999-11-02 US disclosed