SCHEMBL8473271

SCHEMBL8473271

C[C@@H](CN1CCN(C[C@@H](F)Cc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1cccc(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 1.00
HTR1B P28222 19/20 1.00
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR1F P30939 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
SCHEMBL8473270 1.00 HTR1D (1.00) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL8472029 1.00 HTR1D (1.00) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL8470232 0.91 HTR1D (0.85) HTR1DHTR1B
SCHEMBL8524187 0.91 HTR1D (0.85) HTR1DHTR1B
SCHEMBL8524184 0.91 HTR1D (0.85) HTR1DHTR1B
SCHEMBL8471754 0.90 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8474241 0.90 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8470565 0.87 HTR1D (0.77) HTR1DHTR1B
SCHEMBL8470562 0.87 HTR1D (0.77) HTR1DHTR1B
SCHEMBL8470223 0.87 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-5977116-A Piperazine, piperidine and tetrahydropyridine derivatives MERCK SHARP & DOHME LTD. (GB) 1999-11-02 US disclosed