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SCHEMBL4758763

SCHEMBL4758763

CC1(C)CNC=C(C(=O)OCCC(O)O)c2[nH]c3ccccc3c21

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 0.46
▸ ESR1 P03372 1/20 0.40
▸ NR3C1 P04150 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ NR3C2 P08235 1/20 0.40
▸ AR P10275 1/20 0.40

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
SCHEMBL275052 0.86 NR1H4 (0.59) NR1H4
SCHEMBL29881447 0.86 NR1H4 (0.59) NR1H4
SCHEMBL13756323 0.84 NR1H4 (0.45) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL4758766 0.84 NR1H4 (0.45) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL13756324 0.83 NR1H4 (0.44) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL1243024 0.81 NR1H4 (0.59) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL4534131 0.80 NR1H4 (0.48) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL4520941 0.80 NR1H4 (0.48) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL1966306 0.78 NR1H4 (0.40) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL4565198 0.78 NR1H4 (0.40) NR1H4ESR1NR3C1PGRNR3C2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963331-A1 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2008-09-03 — — EP disclosed
WO-2007070796-A1 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2007-06-21 — — WO disclosed