SCHEMBL27795806

SCHEMBL27795806

COC(=O)CCCn1cc(CN(OC(=O)C(C)(C)C)C2CC2)c2c(-c3ccccc3)cccc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 15/20 0.43
▸ KCNH2 Q12809 3/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL27774916 0.89 REN (0.47) RENKCNH2CNR1CNR2
SCHEMBL27795804 0.83 REN (0.48) RENKCNH2CYP2D6SLC6A2SLC6A4
SCHEMBL2806393 0.73 REN (0.53) RENKCNH2CYP2D6SLC6A2SLC6A4
SCHEMBL27774915 0.72 REN (0.53) RENKCNH2
SCHEMBL27774898 0.67 ENPP2 (0.34) REN
SCHEMBL13131567 0.66 REN (0.83) RENKCNH2
SCHEMBL13132570 0.66 REN (0.56) RENKCNH2
SCHEMBL27795797 0.66 SLC22A12 (0.38) RENCNR1CNR2
SCHEMBL13131359 0.64 CNR1 (0.47) RENCNR1CNR2L3MBTL1
SCHEMBL13132365 0.64 CNR1 (0.41) RENCNR1CNR2SLC6A2SLC6A4

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
CN-101679324-B Morpholine derivatives MITSUBISHI TANABE PHARMA CORP 2012-10-03 — — CN disclosed
CN-101679324-A Morpholine derivatives MITSUBISHI TANABE PHARMA CORP 2010-03-24 — — CN disclosed
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