SCHEMBL7964964

SCHEMBL7964964

OC(CCN1CCC(c2cncc3ccccc23)CC1)Oc1cccc2[nH]ccc12

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 18/20 0.47
SLC6A4 P31645 3/20 0.45
DRD2 P14416 2/20 0.40
HTR2A P28223 2/20 0.40
HTR7 P34969 2/20 0.40
HTR6 P50406 2/20 0.40
KCNH2 Q12809 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39

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
SCHEMBL7963782 0.84 HTR1A (0.47) HTR1ASLC6A4
SCHEMBL7964959 0.82 HTR1A (0.69) HTR1ASLC6A4ADRB2ADRB1ADRB3
SCHEMBL7965744 0.82 HTR1A (0.36) HTR1ASLC6A4DRD2HTR2AHTR7
SCHEMBL7965932 0.81 HTR1A (0.42) HTR1ASLC6A4
Oxalic Acid SCHEMBL7966039 0.81 HTR1A (0.46) HTR1ASLC6A4DRD2HTR2AHTR7
SCHEMBL7966021 0.81 HTR1A (0.47) HTR1ASLC6A4
SCHEMBL7966967 0.81 HTR1A (0.45) HTR1ASLC6A4
SCHEMBL7964956 0.81 HTR1A (0.47) HTR1ASLC6A4
SCHEMBL7953790 0.78 DRD2 (0.42) HTR1ASLC6A4DRD2HTR7
SCHEMBL7953373 0.72 HTR1A (0.40) HTR1ASLC6A4ADRB2ADRB1ADRB3

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-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 US 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