SCHEMBL7964370

SCHEMBL7964370

Cc1ccc(OCCC(O)N2CCC(O)(c3cnc4ccccc4c3)CC2)c(C(=O)c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 13/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.38
SRC P12931 2/20 0.36
TGFBR1 P36897 2/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
CYP46A1 Q9Y6A2 1/20 0.35

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
SCHEMBL7953292 0.87 MAPT (0.41) OPRM1OPRD1OPRK1OPRL1
SCHEMBL8019949 0.85 L3MBTL1 (0.37) OPRM1OPRD1OPRK1OPRL1ITGA4
SCHEMBL7964373 0.85 ABCB1 (0.63) ABCB1
SCHEMBL7964376 0.83 ABCB1 (0.44) ABCB1PTGDR2SRCTGFBR1OPRL1
SCHEMBL7967120 0.83 ABCB1 (0.41) ABCB1PTGDR2SRCTGFBR1ITGA4
SCHEMBL7962723 0.83 MAP4K4 (0.36) ABCB1ITGA4ITGB7
SCHEMBL7966948 0.82 OPRM1 (0.39) OPRM1OPRD1OPRK1OPRL1
SCHEMBL7953961 0.80 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1ITGA4
SCHEMBL7969551 0.80 MEN1 (0.41) OPRM1OPRD1OPRK1OPRL1
SCHEMBL7966027 0.80 MAPT (0.37) ABCB1OPRM1OPRD1OPRK1OPRL1

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 5 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-2000006082-A2 TREATMENT OF ANXIETY DISORDERS ELI LILLY AND COMPANY (US) 2000-02-10 WO 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