SCHEMBL8804144

SCHEMBL8804144

CC(=O)Nc1ccc(CCN2CCN(CCCc3c[nH]c4cnc(-n5cnnc5)cc34)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 18/20 0.76
HTR1B P28222 18/20 0.76

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
SCHEMBL8805866 0.87 HTR1D (0.63) HTR1DHTR1B
SCHEMBL7475077 0.86 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8661705 0.83 HTR1D (0.54) HTR1DHTR1B
SCHEMBL7476366 0.81 HTR1D (1.00) HTR1DHTR1B
Oxalic Acid SCHEMBL8660714 0.79 HTR1D (0.67) HTR1DHTR1B
SCHEMBL7485895 0.79 HTR1D (0.86) HTR1DHTR1B
SCHEMBL7485900 0.79 HTR1D (0.86) HTR1DHTR1B
SCHEMBL7474686 0.78 HTR1D (0.95) HTR1DHTR1B
SCHEMBL7476583 0.78 HTR1D (0.84) HTR1DHTR1B
SCHEMBL8664693 0.78 HTR1D (0.72) 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
EP-0759918-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES OF INDOL-3-YLALKYL AS 5-HT1D-ALPHA AGONISTS MERCK SHARP & DOHME LTD. (GB) 1997-03-05 EP claimed
WO-1995032196-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES OF INDOL-3-YLALKYL AS 5-HT1D-ALPHA AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1995-11-30 WO claimed
EP-0759918-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES OF INDOL-3-YLALKYL AS 5-HT1D-ALPHA AGONISTS MERCK SHARP & DOHME LTD. (GB) 1997-03-05 EP disclosed
WO-1995032196-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES OF INDOL-3-YLALKYL AS 5-HT1D-ALPHA AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1995-11-30 WO disclosed