SCHEMBL27774894

SCHEMBL27774894

COC(=O)CCCn1nc(C=Cc2ccccc2)c2ccc(CN(C(=O)OC(C)(C)C)C3CC3)cc21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HSD11B1 P28845 1/20 0.35
▸ CPB2 Q96IY4 1/20 0.34
▸ NR1H4 Q96RI1 3/20 0.34
▸ ENPP2 Q13822 1/20 0.34
▸ REN P00797 3/20 0.33
▸ CETP P11597 1/20 0.33
▸ HTR2C P28335 3/20 0.33
▸ SLC6A4 P31645 3/20 0.33
▸ GHSR Q92847 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ GCGR P47871 1/20 0.31

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
SCHEMBL27795799 0.86 TSHR (0.43) HSD11B1NR1H4RENCETPHTR2C
SCHEMBL27774898 0.85 ENPP2 (0.34) NR1H4ENPP2RENGHSRMAPT
SCHEMBL27795796 0.83 SLC22A12 (0.38) KDM1AHDAC8HDAC6HSD11B1NR1H4
SCHEMBL13132300 0.78 REN (0.40) HSD11B1NR1H4RENHTR2CSLC6A4
SCHEMBL13132277 0.77 REN (0.46) HSD11B1NR1H4REN
SCHEMBL2834678 0.77 REN (0.49) HSD11B1NR1H4REN
SCHEMBL13132274 0.76 REN (0.41) NR1H4REN
SCHEMBL18509080 0.76 HSD11B1 (0.39) HSD11B1NR1H4RENCETPHTR2C
SCHEMBL2810132 0.75 REN (0.41) NR1H4REN
SCHEMBL18509079 0.74 REN (0.40) HSD11B1NR1H4RENCETPHTR2C

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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