SCHEMBL27795796

SCHEMBL27795796

COC(=O)CCCn1nc(C2CC2)c2ccc(CN(C(=O)OC(C)(C)C)C3CC3)cc21

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 1/20 0.38
▸ CNR1 P21554 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.34
▸ REN P00797 10/20 0.33
▸ KDM1A O60341 2/20 0.33
▸ CETP P11597 2/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ HTR2A P28223 2/20 0.32

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
SCHEMBL2810132 0.91 REN (0.41) SLC22A12CNR1NR1H4REN
SCHEMBL13132302 0.88 REN (0.40) SLC22A12CNR1REN
SCHEMBL27795799 0.86 TSHR (0.43) NR1H4RENCETPHSD11B1
SCHEMBL27774894 0.83 KDM1A (0.36) NR1H4RENKDM1ACETPHDAC8
SCHEMBL27795797 0.83 SLC22A12 (0.38) SLC22A12CNR1REN
SCHEMBL13132274 0.81 REN (0.41) NR1H4REN
SCHEMBL13132300 0.77 REN (0.40) NR1H4RENHSD11B1
SCHEMBL13132277 0.77 REN (0.46) NR1H4RENHSD11B1
SCHEMBL2835897 0.77 REN (0.39) NR1H4REN
SCHEMBL2813578 0.76 REN (0.44) SLC22A12REN

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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