SCHEMBL7964959

SCHEMBL7964959

O[C@H](COc1cccc2[nH]ccc12)CN1CCC(c2cncc3ccccc23)CC1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 19/20 0.69
SLC6A4 P31645 4/20 0.66
ADRB2 P07550 1/20 0.57
ADRB1 P08588 1/20 0.57
ADRB3 P13945 1/20 0.57

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
SCHEMBL7876541 0.83 HTR1A (0.72) HTR1ASLC6A4
SCHEMBL7887628 0.83 HTR1A (0.74) HTR1ASLC6A4
SCHEMBL7964964 0.82 HTR1A (0.47) HTR1ASLC6A4ADRB2ADRB1ADRB3
SCHEMBL7964956 0.82 HTR1A (0.47) HTR1ASLC6A4
SCHEMBL7882931 0.82 HTR1A (0.70) HTR1ASLC6A4
SCHEMBL7966018 0.82 HTR1A (0.68) HTR1ASLC6A4ADRB2ADRB1ADRB3
SCHEMBL7965741 0.82 HTR1A (0.54) HTR1ASLC6A4ADRB2ADRB1ADRB3
SCHEMBL7966964 0.81 HTR1A (0.65) HTR1ASLC6A4ADRB2ADRB1ADRB3
SCHEMBL7881145 0.81 HTR1A (0.72) HTR1ASLC6A4

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 3 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
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