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SCHEMBL8064930

SCHEMBL8064930

O=C(NCC1CCCN1C(=O)NCc1ccc(Cl)cc1Cl)NC12CC3C[C@@H]4C[C@@H](C1)CC32C4

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 11/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ P2RX7 Q99572 5/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.40
▸ CYP2C9 P11712 3/20 0.39
▸ CYP2J2 P51589 3/20 0.39
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL8061617 0.98 EPHX2 (0.41) EPHX2ALDH1A1P2RX7HRH3CYP2C9
SCHEMBL8067140 0.89 EPHX2 (0.44) EPHX2ALDH1A1P2RX7HRH3CYP2C9
SCHEMBL8067456 0.88 KDM4E (0.40) ALDH1A1P2RX7HRH3
SCHEMBL4537295 0.87 ALDH1A1 (0.49) EPHX2ALDH1A1P2RX7HRH3CYP2C9
SCHEMBL4533493 0.85 ALDH1A1 (0.48) EPHX2ALDH1A1P2RX7HRH3CYP2C9
SCHEMBL4537463 0.82 EPHX2 (0.49) EPHX2ALDH1A1P2RX7HRH3CYP2C9
SCHEMBL8049790 0.80 EPHX2 (0.44) EPHX2ALDH1A1P2RX7HRH3
SCHEMBL4542900 0.80 EPHX2 (0.47) EPHX2ALDH1A1P2RX7HRH3CYP2C9
SCHEMBL4534910 0.75 EPHX2 (0.46) EPHX2ALDH1A1P2RX7HRH3CYP2C9
SCHEMBL4537298 0.75 EPHX2 (0.49) EPHX2ALDH1A1P2RX7HRH3CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 — — WO disclosed