SCHEMBL7964943

SCHEMBL7964943

Cc1cc(OC(O)CCN2CCC(O)(c3cnc4ccccc4n3)CC2)c2cc(C)oc2c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.33
HTR1A P08908 2/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
HTR2A P28223 1/20 0.33
DRD3 P35462 1/20 0.33
CCR1 P32246 1/20 0.32
OPRL1 P41146 2/20 0.31
OPRM1 P35372 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL7964941 0.85 CCR1 (0.45) HTR1ACCR1
SCHEMBL7964944 0.83 MEN1 (0.30)
SCHEMBL7965119 0.79 OPRM1 (0.39) HTR1ADRD2DRD4HTR2ADRD3
SCHEMBL7963401 0.77 ADRB2 (0.33) LTA4HOPRL1OPRM1SLC6A2SLC6A4
SCHEMBL7962212 0.76 ALDH1A1 (0.41) HTR1ADRD2HTR2ADRD3OPRL1
SCHEMBL7962701 0.75 LTA4H (0.36) LTA4HHTR1ADRD2DRD4HTR2A
SCHEMBL7962748 0.73 PDE10A (0.39) LTA4HHTR1ADRD2DRD4DRD3
SCHEMBL7953354 0.70 ALPL (0.36) HTR1ADRD2HTR2ADRD3OPRL1
Sulfuric Acid SCHEMBL7968961 0.70 DRD3 (0.37) LTA4HHTR1ADRD2DRD3
SCHEMBL7953304 0.70 OPRL1 (0.38) LTA4HHTR1AOPRL1OPRM1

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
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