SCHEMBL7968247

SCHEMBL7968247

OC(CCN1CCC(O)(c2cnc3ccccc3c2)CC1)Oc1cccc2occc12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.38
OPRL1 P41146 3/20 0.35
DRD2 P14416 4/20 0.35
DRD4 P21917 4/20 0.35
DRD3 P35462 4/20 0.35
HTR1A P08908 2/20 0.35
HTR2A P28223 1/20 0.35
ABCB1 P08183 6/20 0.34
OPRM1 P35372 2/20 0.34
OPRD1 P41143 1/20 0.34
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33

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
SCHEMBL7968243 0.85 CYP1A2 (0.47) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL7953964 0.83 HTR1A (0.40) OPRL1DRD2DRD3HTR1AHTR2A
SCHEMBL7962651 0.83 HTR1A (0.44) LTA4HOPRL1DRD2DRD4DRD3
SCHEMBL7965525 0.83 OPRL1 (0.35) LTA4HOPRL1DRD2DRD4DRD3
SCHEMBL7953373 0.83 HTR1A (0.40) OPRL1HTR1A
SCHEMBL7966030 0.83 ABCB1 (0.38) LTA4HOPRL1DRD2HTR1AHTR2A
SCHEMBL7968250 0.82 KCNA3 (0.38) LTA4HOPRL1DRD2DRD4DRD3
SCHEMBL7953391 0.82 HTR1A (0.38) DRD3HTR1AOPRM1
SCHEMBL7965366 0.81 PRMT5 (0.38) LTA4HOPRL1HTR1AABCB1OPRM1
SCHEMBL7969555 0.81 OPRL1 (0.45) LTA4HOPRL1HTR1AOPRM1OPRD1

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