SCHEMBL29134131

SCHEMBL29134131

Cc1cccnc1OC(=O)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ SSTR4 P31391 10/20 0.43
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ELANE P08246 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ SSTR1 P30872 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 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
SCHEMBL28738249 0.92 PKM (0.45) KDM4EALDH1A1MAPTSSTR4KMT2A
SCHEMBL18989937 0.81 KDM4E (0.43) KDM4EALDH1A1MAPTKMT2AELANE
SCHEMBL30689342 0.80 HCRTR1 (0.46) KDM4EALDH1A1SSTR4SSTR1HCRTR1
SCHEMBL1597855 0.79 NOS3 (0.42) KDM4EALDH1A1MAPTSSTR4CYP2C19
SCHEMBL982469 0.78 NPC1 (0.42) KDM4EMAPTSSTR4CYP2C19KMT2A
SCHEMBL4945110 0.78 KDM4E (0.44) KDM4EALDH1A1SSTR4CYP2C19KMT2A
SCHEMBL29094492 0.77 MAPT (0.41) KDM4EALDH1A1MAPTSSTR4CYP2C19
SCHEMBL28683997 0.76 PLAU (0.44) KDM4EMAPTSSTR4CYP2C19KMT2A
SCHEMBL30689324 0.76 HCRTR1 (0.47) KDM4ESSTR4CYP2C19HCRTR1HCRTR2
SCHEMBL30689381 0.75 HCRTR1 (0.47) KDM4EALDH1A1SSTR4HCRTR1HCRTR2

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-111050765-B Spiro compounds and methods of making and using the same H.隆德贝克有限公司 2024-01-02 — — CN disclosed
CN-111050765-A Spiro compounds and methods of making and using the same 隆德贝克拉荷亚研究中心有限公司 2020-04-21 — — CN disclosed
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