SCHEMBL7962652

SCHEMBL7962652

OC(CCOc1cccc2sccc12)N1CCC(O)(c2cnc3ccccc3c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.37
OPRL1 P41146 5/20 0.33
ABCB1 P08183 2/20 0.33
LTA4H P09960 1/20 0.33
OPRM1 P35372 4/20 0.32
OPRD1 P41143 4/20 0.32
OPRK1 P41145 4/20 0.32
FAAH O00519 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A4 P31645 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31

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
SCHEMBL7962648 0.84 ABCB1 (0.47) HTR1AABCB1DRD2DRD4SLC6A4
SCHEMBL7953366 0.83 HTR1A (0.43) HTR1ASLC6A4
SCHEMBL7968250 0.83 KCNA3 (0.38) HTR1AOPRL1ABCB1LTA4HOPRM1
SCHEMBL7953961 0.83 OPRM1 (0.43) HTR1AOPRL1OPRM1OPRD1OPRK1
SCHEMBL7966027 0.82 MAPT (0.37) HTR1AOPRL1ABCB1OPRM1OPRD1
SCHEMBL7965521 0.82 HCRTR1 (0.34) OPRL1ABCB1LTA4HOPRM1OPRD1
SCHEMBL7962651 0.82 HTR1A (0.44) HTR1AOPRL1ABCB1LTA4HOPRM1
SCHEMBL7953383 0.82 HTR1A (0.40) HTR1AOPRM1DRD3SLC6A4
SCHEMBL7968932 0.81 OPRM1 (0.35) HTR1AOPRL1ABCB1OPRM1OPRD1
SCHEMBL7965358 0.81 PRMT5 (0.36) OPRL1ABCB1OPRM1OPRD1OPRK1

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