SCHEMBL7953290

SCHEMBL7953290

OC(CCN1CCC(O)(c2cnc3ccccc3c2)CC1)Oc1ccc2cccnc2c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.38
OPRL1 P41146 2/20 0.38
PDE10A Q9Y233 1/20 0.37
DRD2 P14416 1/20 0.36
CYP3A4 P08684 1/20 0.36
DRD3 P35462 1/20 0.36
HTR1A P08908 2/20 0.36
CCR1 P32246 4/20 0.35
OPRM1 P35372 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CACNA2D1 P54289 1/20 0.34

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
SCHEMBL7962985 0.95 LTA4H (0.39) LTA4HOPRL1HTR1ACCR1OPRM1
SCHEMBL7200725 0.92 OPRL1 (0.41) LTA4HOPRL1HTR1ACCR1OPRM1
SCHEMBL7969555 0.88 OPRL1 (0.45) LTA4HOPRL1HTR1ACCR1OPRM1
SCHEMBL7962748 0.88 PDE10A (0.39) LTA4HOPRL1PDE10ADRD2CYP3A4
SCHEMBL7969481 0.86 LTA4H (0.38) LTA4HOPRL1DRD2DRD3HTR1A
SCHEMBL7953348 0.86 MEN1 (0.47) LTA4HOPRL1DRD2DRD3HTR1A
SCHEMBL7953456 0.86 OPRL1 (0.39) LTA4HOPRL1DRD2DRD3HTR1A
SCHEMBL7969312 0.86 LTA4H (0.45) LTA4HOPRL1HTR1ACCR1OPRM1
SCHEMBL7966953 0.86 OPRL1 (0.39) LTA4HOPRL1HTR1ACCR1OPRM1
SCHEMBL7965175 0.86 OPRL1 (0.47) OPRL1DRD2DRD3HTR1ACCR1

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