SCHEMBL7967319

SCHEMBL7967319

OC(CCN1CCC(O)(c2cnc3ccccc3c2)CC1)Oc1ccc2c(c1)[nH]c1ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.37
DRD2 P14416 4/20 0.37
FAAH O00519 3/20 0.37
HTR1A P08908 1/20 0.37
LTA4H P09960 2/20 0.36
OPRL1 P41146 2/20 0.35
DRD4 P21917 3/20 0.35
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
TOP2A P11388 1/20 0.34
SLC6A1 P30531 1/20 0.34
SLC6A12 P48065 1/20 0.34
SLC6A11 P48066 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 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

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
SCHEMBL7200725 0.87 OPRL1 (0.41) HTR1ALTA4HOPRL1MEN1ALDH1A1
SCHEMBL7969555 0.85 OPRL1 (0.45) HTR1ALTA4HOPRL1MEN1ALDH1A1
SCHEMBL7967317 0.85 PRMT5 (0.45) HTR1AABCB1
SCHEMBL7962985 0.84 LTA4H (0.39) HTR1ALTA4HOPRL1MEN1ALDH1A1
SCHEMBL7953581 0.84 DRD2 (0.42) DRD3DRD2HTR1ALTA4HOPRL1
Sulfuric Acid SCHEMBL7968961 0.84 DRD3 (0.37) DRD3DRD2FAAHHTR1ALTA4H
SCHEMBL7969481 0.84 LTA4H (0.38) DRD3DRD2FAAHHTR1ALTA4H
SCHEMBL7969312 0.83 LTA4H (0.45) HTR1ALTA4HOPRL1MEN1ALDH1A1
SCHEMBL7953348 0.83 MEN1 (0.47) DRD3DRD2FAAHHTR1ALTA4H
SCHEMBL7966953 0.83 OPRL1 (0.39) FAAHHTR1ALTA4HOPRL1SLC6A1

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
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