SCHEMBL7967101

SCHEMBL7967101

OC1(c2cnc3ccccc3c2)CCN(CCCOc2cccc3[nH]ccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.40
SLC6A4 P31645 3/20 0.40
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HRH3 Q9Y5N1 5/20 0.39
SRC P12931 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2A P28223 2/20 0.38
HTR7 P34969 2/20 0.38
HTR6 P50406 2/20 0.38

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
SCHEMBL7883032 0.87 CCR1 (0.48) HTR1ASLC6A4TDP1HRH3DRD3
SCHEMBL7953373 0.86 HTR1A (0.40) HTR1ASLC6A4
SCHEMBL7953370 0.86 HTR1A (0.56) HTR1ASLC6A4
SCHEMBL7953366 0.85 HTR1A (0.43) HTR1ASLC6A4HTR1B
SCHEMBL7887491 0.84 HTR1A (0.44) HTR1ASLC6A4HTR1DHTR1BHRH3
SCHEMBL7966189 0.83 LTA4H (0.50) HTR1ASLC6A4HRH3DRD3HTR2A
SCHEMBL8397976 0.82 HTR1A (0.45) HTR1ASLC6A4HRH3DRD3HTR2A
SCHEMBL6621730 0.81 TDP1 (0.48) HTR1ASLC6A4TDP1HRH3DRD3
SCHEMBL7962445 0.81 HTR1A (0.42) HTR1ASLC6A4TDP1HRH3DRD3
SCHEMBL7966346 0.81 CYP2D6 (0.49) SLC6A4HTR2AHTR7

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
US-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 US disclosed
WO-2000006082-A2 TREATMENT OF ANXIETY DISORDERS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
WO-2000006166-A1 5-HT1F ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed
EP-0976747-A2 Use of 5HT-1F receptor antagonists for treating anxiety disorders ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed