SCHEMBL7965525

SCHEMBL7965525

Cn1ccc2c(OC(O)CCN3CCC(O)(c4cnc5ccccc5c4)CC3)cccc21

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.35
HTR1A P08908 1/20 0.35
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
EGLN1 Q9GZT9 1/20 0.34
ABCB1 P08183 6/20 0.34
LTA4H P09960 2/20 0.34
SLC6A1 P30531 2/20 0.34
SLC6A12 P48065 2/20 0.34
SLC6A11 P48066 2/20 0.34
OPRM1 P35372 2/20 0.34
SLC6A13 Q9NSD5 1/20 0.34
OPRD1 P41143 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 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
SCHEMBL7965524 0.86 ABCB1 (0.48) HTR1AABCB1OPRM1OPRD1DRD2
SCHEMBL7953964 0.85 HTR1A (0.40) OPRL1HTR1AABCB1SLC6A1SLC6A12
SCHEMBL7966030 0.84 ABCB1 (0.38) OPRL1HTR1AABCB1LTA4HOPRM1
SCHEMBL7953391 0.84 HTR1A (0.38) HTR1AHCRTR1HCRTR2OPRM1DRD3
SCHEMBL7965521 0.83 HCRTR1 (0.34) OPRL1HCRTR1HCRTR2EGLN1ABCB1
SCHEMBL7962651 0.83 HTR1A (0.44) OPRL1HTR1AABCB1LTA4HOPRM1
SCHEMBL7953373 0.83 HTR1A (0.40) OPRL1HTR1A
SCHEMBL7968247 0.83 LTA4H (0.38) OPRL1HTR1AABCB1LTA4HOPRM1
SCHEMBL7968938 0.83 OPRL1 (0.38) OPRL1HTR1AABCB1LTA4HOPRM1
SCHEMBL7965366 0.81 PRMT5 (0.38) OPRL1HTR1AABCB1LTA4HOPRM1

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