SCHEMBL27774898

SCHEMBL27774898

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

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.34
▸ GHSR Q92847 1/20 0.32
▸ NR1H4 Q96RI1 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ REN P00797 1/20 0.30

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
SCHEMBL27774894 0.85 KDM1A (0.36) ENPP2GHSRNR1H4MAPTHPGD
SCHEMBL27795797 0.83 SLC22A12 (0.38) GHSRMAPTHPGDTSHRREN
SCHEMBL27795799 0.70 TSHR (0.43) NR1H4MAPTHPGDTSHRREN
SCHEMBL27795803 0.68 KDM4E (0.41) MAPTHPGD
SCHEMBL27795796 0.67 SLC22A12 (0.38) NR1H4REN
SCHEMBL27795806 0.67 REN (0.43) REN
SCHEMBL27774916 0.65 REN (0.47) REN
Hydrochloric Acid SCHEMBL27774966 0.65 TSHR (0.47) MAPTHPGDTSHR
SCHEMBL27774920 0.64 KDM4E (0.47) MAPTHPGDTSHR
SCHEMBL13132300 0.62 REN (0.40) NR1H4REN

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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