SCHEMBL8664693

SCHEMBL8664693

c1ccc(CN2CCN(CCCc3c[nH]c4cnc(-n5cnnc5)cc34)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.72
HTR1B P28222 20/20 0.72

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
Oxalic Acid SCHEMBL8660714 0.95 HTR1D (0.67) HTR1DHTR1B
SCHEMBL8660964 0.85 HTR1D (0.58) HTR1DHTR1B
SCHEMBL7474143 0.84 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8662836 0.83 HTR1D (0.68) HTR1DHTR1B
Oxalic Acid SCHEMBL8659656 0.81 HTR1D (0.54) HTR1DHTR1B
SCHEMBL7479541 0.81 HTR1D (0.94) HTR1DHTR1B
SCHEMBL8804144 0.78 HTR1D (0.76) HTR1DHTR1B
SCHEMBL8471026 0.77 HTR1A (0.82) HTR1DHTR1B
SCHEMBL7479048 0.77 HTR1D (1.00) HTR1DHTR1B
SCHEMBL7478897 0.76 HTR1D (1.00) 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-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
US-5807857-A Piperazine, piperidine and tetrahydropyridine derivative of indol-3-alkyl as 5-HT1D-α agonists MERCK SHARP & DOHME LTD. (GB) 1998-09-15 US disclosed
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