SCHEMBL7965737

SCHEMBL7965737

OC(CCOc1cccc2[nH]ccc12)N1CCC(O)(c2cncc3ccccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.41
SLC6A4 P31645 3/20 0.37
HTR1B P28222 1/20 0.37
MCL1 Q07820 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35

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
SCHEMBL7962445 0.85 HTR1A (0.42) HTR1ASLC6A4MCL1DRD4DRD3
SCHEMBL7965741 0.83 HTR1A (0.54) HTR1ASLC6A4ADRB2ADRB1
SCHEMBL7953366 0.82 HTR1A (0.43) HTR1ASLC6A4HTR1BADRB2ADRB1
SCHEMBL7964956 0.82 HTR1A (0.47) HTR1ASLC6A4
SCHEMBL7965744 0.81 HTR1A (0.36) HTR1ASLC6A4DRD2DRD4DRD3
SCHEMBL7953971 0.81 OPRM1 (0.33) SLC6A4
SCHEMBL7965447 0.79 HRH3 (0.36) SLC6A4DRD3
SCHEMBL7965338 0.79 OPRM1 (0.31) DRD2DRD4DRD3
Succinic Acid SCHEMBL7965776 0.77 ITGA4 (0.34) HTR1ADRD2
Phenylacetic Acid SCHEMBL7961720 0.77 P2RX7 (0.30)

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