SCHEMBL7965200

SCHEMBL7965200

CSc1ccc(OC(O)CCN2CCC(O)(c3cnc4ccccc4c3)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.38
OPRL1 P41146 3/20 0.38
DRD3 P35462 5/20 0.37
DRD2 P14416 4/20 0.37
DRD4 P21917 4/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR1A P08908 1/20 0.35
OPRM1 P35372 2/20 0.35
TACR2 P21452 1/20 0.34
CCR1 P32246 2/20 0.34
SLC6A1 P30531 1/20 0.34
SLC6A12 P48065 1/20 0.34
SLC6A11 P48066 1/20 0.34
OPRD1 P41143 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 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
SCHEMBL7966953 0.90 OPRL1 (0.39) LTA4HOPRL1MEN1ALDH1A1LMNA
SCHEMBL7953348 0.90 MEN1 (0.47) LTA4HOPRL1DRD3DRD2DRD4
SCHEMBL7969555 0.90 OPRL1 (0.45) LTA4HOPRL1MEN1ALDH1A1LMNA
SCHEMBL7966386 0.88 LTA4H (0.38) LTA4HOPRL1DRD3MEN1ALDH1A1
SCHEMBL7953579 0.88 CCR1 (0.41) LTA4HOPRL1MEN1ALDH1A1LMNA
SCHEMBL7965175 0.88 OPRL1 (0.47) OPRL1DRD3DRD2DRD4HTR1A
SCHEMBL7969312 0.88 LTA4H (0.45) LTA4HOPRL1MEN1ALDH1A1LMNA
SCHEMBL7953456 0.88 OPRL1 (0.39) LTA4HOPRL1DRD3DRD2DRD4
SCHEMBL7969776 0.88 OPRL1 (0.35) LTA4HOPRL1DRD3DRD2DRD4
SCHEMBL7200725 0.88 OPRL1 (0.41) LTA4HOPRL1MEN1ALDH1A1LMNA

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