SCHEMBL7953568

SCHEMBL7953568

OC(CCOc1ccc2[nH]ccc2c1)N1CCC(O)(c2cnc3ccccc3c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.41
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
HTR1A P08908 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
MAOA P21397 1/20 0.35
HDAC1 Q13547 1/20 0.35
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA10 Q9GZZ6 1/20 0.33
CHRNA9 Q9UGM1 1/20 0.33
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 2/20 0.33
PPARD Q03181 1/20 0.33
CYP2D6 P10635 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL7200716 0.89 KDM4E (0.38) LTA4HDRD3PRMT5WDR77MEN1
SCHEMBL7962978 0.87 PPARG (0.39) LTA4HPRMT5WDR77CYP2D6MEN1
SCHEMBL7969551 0.85 MEN1 (0.41) LTA4HPRMT5WDR77MEN1ALDH1A1
SCHEMBL7966189 0.85 LTA4H (0.50) LTA4HDRD2DRD3HTR1ACYP2D6
SCHEMBL7953343 0.85 ALDH1A1 (0.46) LTA4HDRD2DRD3MEN1ALDH1A1
SCHEMBL7969474 0.84 MAPT (0.38) LTA4HDRD2DRD3PRMT5WDR77
SCHEMBL7967315 0.84 THRB (0.38) LTA4HDRD2DRD3PRMT5WDR77
SCHEMBL7953366 0.84 HTR1A (0.43) HTR1AADRB2ADRB1ADRB3SLC6A4
SCHEMBL7953451 0.84 LTA4H (0.38) LTA4HDRD2DRD3PRMT5WDR77
SCHEMBL7966948 0.84 OPRM1 (0.39) LTA4HMEN1ALDH1A1LMNAKMT2A

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