SCHEMBL7962701

SCHEMBL7962701

OC(CCN1CCC(O)(c2cnc3ccccc3n2)CC1)Oc1ccc(I)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.36
OPRL1 P41146 3/20 0.36
CCR1 P32246 4/20 0.35
OPRM1 P35372 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
DRD2 P14416 4/20 0.31
DRD4 P21917 4/20 0.31
DRD3 P35462 4/20 0.31
SLC6A1 P30531 1/20 0.31
SLC6A12 P48065 1/20 0.31
SLC6A11 P48066 1/20 0.31
OPRD1 P41143 1/20 0.31
HTR1A P08908 4/20 0.30
HTR2A P28223 3/20 0.30
HTR7 P34969 2/20 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
SCHEMBL7953456 0.85 OPRL1 (0.39) LTA4HOPRL1CCR1OPRM1MEN1
SCHEMBL7962748 0.84 PDE10A (0.39) LTA4HOPRL1CCR1MEN1KMT2A
SCHEMBL7962212 0.84 ALDH1A1 (0.41) OPRL1OPRM1MEN1ALDH1A1LMNA
SCHEMBL7962698 0.81 L3MBTL1 (0.46) MEN1KMT2A
SCHEMBL7965119 0.79 OPRM1 (0.39) OPRL1CCR1OPRM1MEN1ALDH1A1
SCHEMBL7962696 0.79 LTA4H (0.35) LTA4HOPRL1OPRM1MEN1ALDH1A1
Sulfuric Acid SCHEMBL7968961 0.79 DRD3 (0.37) LTA4HDRD2DRD3HTR1A
SCHEMBL7963401 0.78 ADRB2 (0.33) LTA4HOPRL1OPRM1MEN1LMNA
SCHEMBL7969555 0.76 OPRL1 (0.45) LTA4HOPRL1CCR1OPRM1MEN1
SCHEMBL7969312 0.75 LTA4H (0.45) LTA4HOPRL1CCR1OPRM1MEN1

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